2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C14H24N4 — CID 62913450

IUPAC2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCCCC2)nc(N)c1C(C)C
InChIInChI=1S/C14H24N4/c1-10(2)12-11(3)16-14(17-13(12)15)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyKDUJEQAPNRGJLP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds2

About 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 62913450) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID62913450
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCCCC2)nc(N)c1C(C)C
InChIInChI=1S/C14H24N4/c1-10(2)12-11(3)16-14(17-13(12)15)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyKDUJEQAPNRGJLP-UHFFFAOYSA-N
XLogP2.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 62913450) is 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is Cc1nc(N2CCCCCC2)nc(N)c1C(C)C.
What is the InChIKey of 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KDUJEQAPNRGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)12-11(3)16-14(17-13(12)15)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62913450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).