5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine

C13H22N4O — CID 80985559

IUPAC5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(N2CCCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-5-11-15-12(14)10(2)13(16-11)17-6-4-8-18-9-7-17/h3-9H2,1-2H3,(H2,14,15,16)
InChIKeyDMEVXBBCKOBJPX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.55
Rot. Bonds3

About 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine

5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine (PubChem CID 80985559) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
PubChem CID80985559
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(N2CCCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-5-11-15-12(14)10(2)13(16-11)17-6-4-8-18-9-7-17/h3-9H2,1-2H3,(H2,14,15,16)
InChIKeyDMEVXBBCKOBJPX-UHFFFAOYSA-N
XLogP1.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80983578
2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226730
6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80992705
[1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80977068
5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541813
5-methyl-4,6-dimorpholin-4-ylpyrimidin-2-amine;dihydrochloride
CID 121396239
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80984409
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409073
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80992252
6-(2,5-dimethylmorpholin-4-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80993714
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108410
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985308

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine (CID 80985559) is 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(N2CCCOCC2)n1.
What is the InChIKey of 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
The InChIKey is DMEVXBBCKOBJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-11-15-12(14)10(2)13(16-11)17-6-4-8-18-9-7-17/h3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80985559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).