potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide

C40H47KN10O6 — CID 157430130

IUPACpotassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)CC21CCCCC1.Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)CC21CCCCC1.[K+].[OH-]
InChIInChI=1S/C22H25N5O3.C18H21N5O2.K.H2O/c1-13-9-15(25-17-10-18(24-12-23-17)26-20(29)14-5-6-14)21(30)27-19(13)16(28)11-22(27)7-3-2-4-8-22;1-11-7-12(22-15-8-14(19)20-10-21-15)17(25)23-16(11)13(24)9-18(23)5-3-2-4-6-18;;/h9-10,12,14H,2-8,11H2,1H3,(H2,23,24,25,26,29);7-8,10H,2-6,9H2,1H3,(H3,19,20,21,22);;1H2/q;;+1;/p-1
InChIKeyBQKUENUZCDIZJX-UHFFFAOYSA-M
MW802.98 g/mol
LogP2.63
Rot. Bonds6

About potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide

potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide (PubChem CID 157430130) has the molecular formula C40H47KN10O6 and a molecular weight of 802.98 g/mol. Its IUPAC name is potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide.

Molecular Properties

Compound Namepotassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
PubChem CID157430130
Molecular FormulaC40H47KN10O6
Molecular Weight802.98 g/mol
Exact Mass802.33
IUPAC Namepotassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)CC21CCCCC1.Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)CC21CCCCC1.[K+].[OH-]
InChIInChI=1S/C22H25N5O3.C18H21N5O2.K.H2O/c1-13-9-15(25-17-10-18(24-12-23-17)26-20(29)14-5-6-14)21(30)27-19(13)16(28)11-22(27)7-3-2-4-8-22;1-11-7-12(22-15-8-14(19)20-10-21-15)17(25)23-16(11)13(24)9-18(23)5-3-2-4-6-18;;/h9-10,12,14H,2-8,11H2,1H3,(H2,23,24,25,26,29);7-8,10H,2-6,9H2,1H3,(H3,19,20,21,22);;1H2/q;;+1;/p-1
InChIKeyBQKUENUZCDIZJX-UHFFFAOYSA-M
XLogP2.63
TPSA238.88 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide with MolForge

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Related Compounds

bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione);N-[6-[(8-chloro-3,3-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 157481702
CID 166460767
CID 166460767
CID 166460764
CID 166460764
CID 166460720
CID 166460720
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140
N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 139387402
6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione
CID 170239944
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
N-[6-[(8-chloro-2'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598931
CID 172572700
CID 172572700
N-[6-[(8-chloro-3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118599096
6-[(6-aminopyrimidin-4-yl)amino]-1'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457437

Frequently Asked Questions

What is the IUPAC name of potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The IUPAC name of potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide (CID 157430130) is potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide.
What is the SMILES notation for potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The canonical SMILES for potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)CC21CCCCC1.Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)CC21CCCCC1.[K+].[OH-].
What is the InChIKey of potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The InChIKey is BQKUENUZCDIZJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H25N5O3.C18H21N5O2.K.H2O/c1-13-9-15(25-17-10-18(24-12-23-17)26-20(29)14-5-6-14)21(30)27-19(13)16(28)11-22(27)7-3-2-4-8-22;1-11-7-12(22-15-8-14(19)20-10-21-15)17(25)23-16(11)13(24)9-18(23)5-3-2-4-6-18;;/h9-10,12,14H,2-8,11H2,1H3,(H2,23,24,25,26,29);7-8,10H,2-6,9H2,1H3,(H3,19,20,21,22);;1H2/q;;+1;/p-1.
What are the key properties of potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide has a molecular weight of 802.98 g/mol, XLogP of 2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide is sourced from PubChem (CID 157430130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).