2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine

C14H23BrN4 — CID 66307142

IUPAC2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(N2CCCCCC2)nc(NC)c1Br
InChIInChI=1S/C14H23BrN4/c1-3-8-11-12(15)13(16-2)18-14(17-11)19-9-6-4-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyODMMIURJTUZRSF-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.61
Rot. Bonds4

About 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine

2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66307142) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66307142
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(N2CCCCCC2)nc(NC)c1Br
InChIInChI=1S/C14H23BrN4/c1-3-8-11-12(15)13(16-2)18-14(17-11)19-9-6-4-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyODMMIURJTUZRSF-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66298260
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66298476
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681256
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine (CID 66307142) is 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(N2CCCCCC2)nc(NC)c1Br.
What is the InChIKey of 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is ODMMIURJTUZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-3-8-11-12(15)13(16-2)18-14(17-11)19-9-6-4-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine?
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).