8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one

C27H37N5O3 — CID 174297289

IUPAC8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCC(C)Oc1cc(N2CCCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C27H37N5O3/c1-18(2)34-22-16-20(31-14-8-5-9-15-31)12-13-21(22)29-26-28-17-23-24(30-26)32(19-10-6-7-11-19)25(33)27(3,4)35-23/h12-13,16-19H,5-11,14-15H2,1-4H3,(H,28,29,30)
InChIKeyHZAORCNBSIFKRC-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.44
Rot. Bonds6

About 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one

8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 174297289) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID174297289
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCC(C)Oc1cc(N2CCCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C27H37N5O3/c1-18(2)34-22-16-20(31-14-8-5-9-15-31)12-13-21(22)29-26-28-17-23-24(30-26)32(19-10-6-7-11-19)25(33)27(3,4)35-23/h12-13,16-19H,5-11,14-15H2,1-4H3,(H,28,29,30)
InChIKeyHZAORCNBSIFKRC-UHFFFAOYSA-N
XLogP5.44
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one with MolForge

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Related Compounds

2-[4-(4-acetylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)anilino]-8-cyclopentyl-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 174297087
2-[2-methoxy-4-(4-methylpiperidin-1-yl)anilino]-6,6-dimethyl-8-(oxolan-3-yl)pyrimido[5,4-b][1,4]oxazin-7-one
CID 175313493
8-cyclopentyl-2-[4-(4-hydroxypiperidin-1-yl)anilino]-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 175313511
8-cyclopentyl-2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 174297090
8-cyclopentyl-2-[2-ethoxy-4-(1-methylpyrazol-4-yl)anilino]-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 174297256
8-cyclopentyl-6,6-dimethyl-2-(4-methylsulfonylanilino)pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232987
4-[(8-cyclopentyl-6,6-dimethyl-7-oxopyrimido[5,4-b][1,4]oxazin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 177232907
8-cyclopentyl-6,6-dimethyl-2-[4-[(methylsulfonimidoyl)amino]anilino]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232864
8-cyclopentyl-6,6-dimethyl-2-[[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232776
8-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 163387130
8'-cyclopentyl-2'-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[cyclopropane-1,6'-pyrimido[5,4-b][1,4]oxazine]-7'-one
CID 137497314
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one (CID 174297289) is 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one is CC(C)Oc1cc(N2CCCCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(=O)C(C)(C)O2.
What is the InChIKey of 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is HZAORCNBSIFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-18(2)34-22-16-20(31-14-8-5-9-15-31)12-13-21(22)29-26-28-17-23-24(30-26)32(19-10-6-7-11-19)25(33)27(3,4)35-23/h12-13,16-19H,5-11,14-15H2,1-4H3,(H,28,29,30).
What are the key properties of 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one?
8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 479.63 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6,6-dimethyl-2-(4-piperidin-1-yl-2-propan-2-yloxyanilino)pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 174297289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).