4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine

C14H24N4 — CID 112883747

IUPAC4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
SMILESCCC(C)Nc1nccc(N2CCCCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-12(2)16-14-15-9-8-13(17-14)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,15,16,17)
InChIKeyOJCAVVKWXYSAGC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds4

About 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine

4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine (PubChem CID 112883747) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
PubChem CID112883747
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
SMILESCCC(C)Nc1nccc(N2CCCCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-12(2)16-14-15-9-8-13(17-14)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,15,16,17)
InChIKeyOJCAVVKWXYSAGC-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193887
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
4-(azepan-1-yl)-N-[[1-(2-ethylbutyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 66903067
4-(azepan-1-yl)-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66903623

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine (CID 112883747) is 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine is CCC(C)Nc1nccc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine?
The InChIKey is OJCAVVKWXYSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-12(2)16-14-15-9-8-13(17-14)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine?
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 112883747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).