6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

C15H15ClN6O2 — CID 118599016

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESNc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC2)NC3=O)ncn1
InChIInChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20)
InChIKeyJEOHNIZYSBQLBI-UHFFFAOYSA-N
MW346.78 g/mol
LogP1.59
Rot. Bonds2

About 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (PubChem CID 118599016) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID118599016
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESNc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC2)NC3=O)ncn1
InChIInChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20)
InChIKeyJEOHNIZYSBQLBI-UHFFFAOYSA-N
XLogP1.59
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Tomivosertib
CID 118598754
Tomivosertib Hydrochloride
CID 118598855
3,3-Dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 118598721
US9669031, 207 6'-((6-aminopyrimidin-4-yl)amino)-8'-(hydroxymethyl)-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (Cpd. No. 207)
CID 118598693
6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598816
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598997
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118599040
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598634
US9669031, 10 N-(6-((3,3-dimethyl-1,5-dioxo-1,2,3,5-tetrahydroimidazo[1,5-a]pyridin-6-yl)amino)pyrimidin-4-yl)cyclopropanecarboxamide (Cpd. No. 10)
CID 118598698
US9669031, 109 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione hydrochloride (Cpd. No. 109)
CID 118598782
US9669031, 69 8-fluoro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 69)
CID 118599128
US9669031, 14 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 14)
CID 118598584

Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (CID 118599016) is 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC2)NC3=O)ncn1.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The InChIKey is JEOHNIZYSBQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione has a molecular weight of 346.78 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is sourced from PubChem (CID 118599016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).