N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide

C19H24N6O2 — CID 167457413

IUPACN-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n(C2(NC=O)C=CCC(C)C2)c1C
InChIInChI=1S/C19H24N6O2/c1-12-5-4-6-19(9-12,23-11-26)25-14(3)13(2)7-15(18(25)27)24-17-8-16(20)21-10-22-17/h4,6-8,10-12H,5,9H2,1-3H3,(H,23,26)(H3,20,21,22,24)
InChIKeyIDKQQLWNRYHOIH-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.97
Rot. Bonds5

About N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide

N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide (PubChem CID 167457413) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide.

Molecular Properties

Compound NameN-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide
PubChem CID167457413
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n(C2(NC=O)C=CCC(C)C2)c1C
InChIInChI=1S/C19H24N6O2/c1-12-5-4-6-19(9-12,23-11-26)25-14(3)13(2)7-15(18(25)27)24-17-8-16(20)21-10-22-17/h4,6-8,10-12H,5,9H2,1-3H3,(H,23,26)(H3,20,21,22,24)
InChIKeyIDKQQLWNRYHOIH-UHFFFAOYSA-N
XLogP1.97
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(6-aminopyrimidin-4-yl)amino]-5'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclohexene]-1,5-dione
CID 167457391
6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione
CID 170239944
CID 166460731
CID 166460731
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
CID 167457399
CID 167457399
CID 178083822
CID 178083822
6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
CID 177163117
6-[(6-aminopyrimidin-4-yl)amino]-7'-fluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457420
CID 167457384
CID 167457384
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
6-[(6-aminopyrimidin-4-yl)amino]-1'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457437
(1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
CID 162431014

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide?
The IUPAC name of N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide (CID 167457413) is N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide.
What is the SMILES notation for N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide?
The canonical SMILES for N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide is Cc1cc(Nc2cc(N)ncn2)c(=O)n(C2(NC=O)C=CCC(C)C2)c1C.
What is the InChIKey of N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide?
The InChIKey is IDKQQLWNRYHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-5-4-6-19(9-12,23-11-26)25-14(3)13(2)7-15(18(25)27)24-17-8-16(20)21-10-22-17/h4,6-8,10-12H,5,9H2,1-3H3,(H,23,26)(H3,20,21,22,24).
What are the key properties of N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide?
N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide has a molecular weight of 368.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(6-aminopyrimidin-4-yl)amino]-2,3-dimethyl-6-oxo-1-pyridinyl]-5-methylcyclohex-2-en-1-yl]formamide is sourced from PubChem (CID 167457413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).