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

C17H18F2N6O2 — CID 118598890

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
InChIInChI=1S/C17H18F2N6O2/c1-9-6-10(23-12-7-11(20)21-8-22-12)15(27)25-13(9)14(26)24-17(25)4-2-16(18,19)3-5-17/h6-8H,2-5H2,1H3,(H,24,26)(H3,20,21,22,23)
InChIKeyPNJVSKGBROJKNX-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.88
Rot. Bonds2

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

6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118598890) has the molecular formula C17H18F2N6O2 and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118598890
Molecular FormulaC17H18F2N6O2
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
InChIInChI=1S/C17H18F2N6O2/c1-9-6-10(23-12-7-11(20)21-8-22-12)15(27)25-13(9)14(26)24-17(25)4-2-16(18,19)3-5-17/h6-8H,2-5H2,1H3,(H,24,26)(H3,20,21,22,23)
InChIKeyPNJVSKGBROJKNX-UHFFFAOYSA-N
XLogP1.88
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118598890) is 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is PNJVSKGBROJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O2/c1-9-6-10(23-12-7-11(20)21-8-22-12)15(27)25-13(9)14(26)24-17(25)4-2-16(18,19)3-5-17/h6-8H,2-5H2,1H3,(H,24,26)(H3,20,21,22,23).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 376.37 g/mol, XLogP of 1.88, 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]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).