4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine

C16H26N4O — CID 80791554

IUPAC4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C16H26N4O/c1-3-8-17-16-18-12(2)11-15(19-16)20-9-10-21-14-7-5-4-6-13(14)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyJTGJDSKMNVIMKW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds4

About 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80791554) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80791554
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C16H26N4O/c1-3-8-17-16-18-12(2)11-15(19-16)20-9-10-21-14-7-5-4-6-13(14)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyJTGJDSKMNVIMKW-UHFFFAOYSA-N
XLogP2.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
CID 80812470
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889
1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765391
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
CID 102757483
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80805119
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80836941
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541866
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80775506

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine (CID 80791554) is 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(N2CCOC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is JTGJDSKMNVIMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-17-16-18-12(2)11-15(19-16)20-9-10-21-14-7-5-4-6-13(14)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine?
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80791554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).