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

C17H20N6O2 — CID 142402620

IUPAC6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ccnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C17H20N6O2/c1-10-9-11(20-12-5-8-19-16(18)21-12)15(25)23-13(10)14(24)22-17(23)6-3-2-4-7-17/h5,8-9H,2-4,6-7H2,1H3,(H,22,24)(H3,18,19,20,21)
InChIKeyZBOZMNJGIZGSFL-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.63
Rot. Bonds2

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

6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 142402620) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID142402620
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ccnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C17H20N6O2/c1-10-9-11(20-12-5-8-19-16(18)21-12)15(25)23-13(10)14(24)22-17(23)6-3-2-4-7-17/h5,8-9H,2-4,6-7H2,1H3,(H,22,24)(H3,18,19,20,21)
InChIKeyZBOZMNJGIZGSFL-UHFFFAOYSA-N
XLogP1.63
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 142402620) is 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ccnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is ZBOZMNJGIZGSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-9-11(20-12-5-8-19-16(18)21-12)15(25)23-13(10)14(24)22-17(23)6-3-2-4-7-17/h5,8-9H,2-4,6-7H2,1H3,(H,22,24)(H3,18,19,20,21).
What are the key properties of 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 340.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 142402620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).