2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C16H22N4O2 — CID 118146892

IUPAC2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)
InChIKeyPTVSTQCTVOIQBP-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.09
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118146892) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID118146892
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)
InChIKeyPTVSTQCTVOIQBP-UHFFFAOYSA-N
XLogP2.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
1-methyl-3-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 122632853
6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425
8-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 163196400
tert-butyl 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 10195395
2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 156734462
8-amino-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551749
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 118146892) is 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(NC3CCC(O)CC3)nc21.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PTVSTQCTVOIQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 302.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118146892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).