8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C17H19N5O2 — CID 150090880

IUPAC8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C17H19N5O2/c1-11-9-12(20-13-5-8-18-10-19-13)16(24)22-14(11)15(23)21-17(22)6-3-2-4-7-17/h5,8-10H,2-4,6-7H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyDTEWSDGBCMIPIZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.05
Rot. Bonds2

About 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 150090880) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID150090880
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C17H19N5O2/c1-11-9-12(20-13-5-8-18-10-19-13)16(24)22-14(11)15(23)21-17(22)6-3-2-4-7-17/h5,8-10H,2-4,6-7H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyDTEWSDGBCMIPIZ-UHFFFAOYSA-N
XLogP2.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598890
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598634
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
2,3-Dihydro-3,3,8-trimethyl-6-(4-pyrimidinylamino)imidazo[1,5-a]pyridine-1,5-dione
CID 118598955
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
6-[(2-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 142402620
6-[[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162674011

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 150090880) is 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is DTEWSDGBCMIPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-9-12(20-13-5-8-18-10-19-13)16(24)22-14(11)15(23)21-17(22)6-3-2-4-7-17/h5,8-10H,2-4,6-7H2,1H3,(H,21,23)(H,18,19,20).
What are the key properties of 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 325.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 150090880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).