(4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one

C15H22N4O2 — CID 128726839

IUPAC(4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
SMILESCC(C)(C)c1ccnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12-4-6-16-14(18-12)19-7-5-11-10(8-19)17-13(20)9-21-11/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,20)/t10-,11-/m0/s1
InChIKeyJGKBYPWDKBZNKS-QWRGUYRKSA-N
MW290.37 g/mol
LogP0.87
Rot. Bonds1

About (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one

(4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 128726839) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
PubChem CID128726839
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
SMILESCC(C)(C)c1ccnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12-4-6-16-14(18-12)19-7-5-11-10(8-19)17-13(20)9-21-11/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,20)/t10-,11-/m0/s1
InChIKeyJGKBYPWDKBZNKS-QWRGUYRKSA-N
XLogP0.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one
CID 125168632
(4aR,8aS)-6-[6-[[6-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 170784698
(4aR,8aS)-6-[6-[[6-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 170784725
(4aR,8aS)-6-[6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 170784993
(4aR,8aS)-6-[6-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 170785040
(4aR,8aS)-6-[6-[[2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 170785044
CID 170785060
CID 170785060
(4aR,8aS)-6-[6-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 170785125
(4aR,8aS)-6-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 174316962
N-[(4-acetylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56875028
1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone
CID 95554759
1-[(2S)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone
CID 95554760

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one (CID 128726839) is (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one is CC(C)(C)c1ccnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1.
What is the InChIKey of (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is JGKBYPWDKBZNKS-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)12-4-6-16-14(18-12)19-7-5-11-10(8-19)17-13(20)9-21-11/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,20)/t10-,11-/m0/s1.
What are the key properties of (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
(4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-(4-tert-butylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 128726839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).