5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine

C17H30N4 — CID 80983578

IUPAC5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C17H30N4/c1-5-7-15-19-16(18)13(4)17(20-15)21-10-6-8-14(9-11-21)12(2)3/h12,14H,5-11H2,1-4H3,(H2,18,19,20)
InChIKeyZPCSZSVJJHZHFN-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.58
Rot. Bonds4

About 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine

5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80983578) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80983578
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C17H30N4/c1-5-7-15-19-16(18)13(4)17(20-15)21-10-6-8-14(9-11-21)12(2)3/h12,14H,5-11H2,1-4H3,(H2,18,19,20)
InChIKeyZPCSZSVJJHZHFN-UHFFFAOYSA-N
XLogP3.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80977068
5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985559
5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541813
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
6-(4-ethoxypiperidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80987233
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 83224110
3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine
CID 66029993
1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986923
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 81005903
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine (CID 80983578) is 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(N2CCCC(C(C)C)CC2)n1.
What is the InChIKey of 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is ZPCSZSVJJHZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-7-15-19-16(18)13(4)17(20-15)21-10-6-8-14(9-11-21)12(2)3/h12,14H,5-11H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine?
5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).