[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine

C21H24N4 — CID 68725072

IUPAC[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
SMILESNCC1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C21H24N4/c22-15-16-4-3-12-25(13-10-16)21-23-11-9-20(24-21)19-8-7-17-5-1-2-6-18(17)14-19/h1-2,5-9,11,14,16H,3-4,10,12-13,15,22H2
InChIKeySRLFQKXACLKMNH-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.86
Rot. Bonds3

About [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine

[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine (PubChem CID 68725072) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
PubChem CID68725072
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
SMILESNCC1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C21H24N4/c22-15-16-4-3-12-25(13-10-16)21-23-11-9-20(24-21)19-8-7-17-5-1-2-6-18(17)14-19/h1-2,5-9,11,14,16H,3-4,10,12-13,15,22H2
InChIKeySRLFQKXACLKMNH-UHFFFAOYSA-N
XLogP3.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 68728237
[1-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727587
[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727972
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68728464
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278804

Frequently Asked Questions

What is the IUPAC name of [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine?
The IUPAC name of [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine (CID 68725072) is [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine?
The canonical SMILES for [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine is NCC1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine?
The InChIKey is SRLFQKXACLKMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c22-15-16-4-3-12-25(13-10-16)21-23-11-9-20(24-21)19-8-7-17-5-1-2-6-18(17)14-19/h1-2,5-9,11,14,16H,3-4,10,12-13,15,22H2.
What are the key properties of [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine?
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine has a molecular weight of 332.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 68725072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).