N-(6-propylpyrimidin-4-yl)azepan-4-amine

C13H22N4 — CID 107173664

IUPACN-(6-propylpyrimidin-4-yl)azepan-4-amine
SMILESCCCc1cc(NC2CCCNCC2)ncn1
InChIInChI=1S/C13H22N4/c1-2-4-12-9-13(16-10-15-12)17-11-5-3-7-14-8-6-11/h9-11,14H,2-8H2,1H3,(H,15,16,17)
InChIKeyYBYYTWSLLWWVPG-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.98
Rot. Bonds4

About N-(6-propylpyrimidin-4-yl)azepan-4-amine

N-(6-propylpyrimidin-4-yl)azepan-4-amine (PubChem CID 107173664) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(6-propylpyrimidin-4-yl)azepan-4-amine.

Molecular Properties

Compound NameN-(6-propylpyrimidin-4-yl)azepan-4-amine
PubChem CID107173664
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(6-propylpyrimidin-4-yl)azepan-4-amine
SMILESCCCc1cc(NC2CCCNCC2)ncn1
InChIInChI=1S/C13H22N4/c1-2-4-12-9-13(16-10-15-12)17-11-5-3-7-14-8-6-11/h9-11,14H,2-8H2,1H3,(H,15,16,17)
InChIKeyYBYYTWSLLWWVPG-UHFFFAOYSA-N
XLogP1.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2-dimethylpropyl)-N-piperidin-4-ylpyrimidin-4-amine
CID 126848327
9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470895
4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
CID 115264217
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
CID 114124106
N-(2-methylcyclopropyl)-6-propylpyrimidin-4-amine
CID 62398962
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
N-(2-methyloxolan-3-yl)-6-propylpyrimidin-4-amine
CID 82728065
2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine
CID 56766998

Frequently Asked Questions

What is the IUPAC name of N-(6-propylpyrimidin-4-yl)azepan-4-amine?
The IUPAC name of N-(6-propylpyrimidin-4-yl)azepan-4-amine (CID 107173664) is N-(6-propylpyrimidin-4-yl)azepan-4-amine.
What is the SMILES notation for N-(6-propylpyrimidin-4-yl)azepan-4-amine?
The canonical SMILES for N-(6-propylpyrimidin-4-yl)azepan-4-amine is CCCc1cc(NC2CCCNCC2)ncn1.
What is the InChIKey of N-(6-propylpyrimidin-4-yl)azepan-4-amine?
The InChIKey is YBYYTWSLLWWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-4-12-9-13(16-10-15-12)17-11-5-3-7-14-8-6-11/h9-11,14H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(6-propylpyrimidin-4-yl)azepan-4-amine?
N-(6-propylpyrimidin-4-yl)azepan-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propylpyrimidin-4-yl)azepan-4-amine is sourced from PubChem (CID 107173664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).