4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

C18H24N4 — CID 112890728

IUPAC4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCCCCC2)n1)c1ccccc1
InChIInChI=1S/C18H24N4/c1-15(16-9-5-4-6-10-16)20-18-19-12-11-17(21-18)22-13-7-2-3-8-14-22/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,19,20,21)
InChIKeyNWIWQYMQJSEWHZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.03
Rot. Bonds4

About 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 112890728) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID112890728
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCCCCC2)n1)c1ccccc1
InChIInChI=1S/C18H24N4/c1-15(16-9-5-4-6-10-16)20-18-19-12-11-17(21-18)22-13-7-2-3-8-14-22/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,19,20,21)
InChIKeyNWIWQYMQJSEWHZ-UHFFFAOYSA-N
XLogP4.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-ylpyrimidin-2-amine
CID 59924747
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193887

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (CID 112890728) is 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(N2CCCCCC2)n1)c1ccccc1.
What is the InChIKey of 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is NWIWQYMQJSEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-15(16-9-5-4-6-10-16)20-18-19-12-11-17(21-18)22-13-7-2-3-8-14-22/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,19,20,21).
What are the key properties of 4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 4.03, 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-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112890728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).