6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine

C13H22N4 — CID 104693081

IUPAC6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
SMILESCCC1CCCCCN1c1cc(NC)ncn1
InChIInChI=1S/C13H22N4/c1-3-11-7-5-4-6-8-17(11)13-9-12(14-2)15-10-16-13/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyOJLYGBHNAYEGGS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.68
Rot. Bonds3

About 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine

6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 104693081) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
PubChem CID104693081
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
SMILESCCC1CCCCCN1c1cc(NC)ncn1
InChIInChI=1S/C13H22N4/c1-3-11-7-5-4-6-8-17(11)13-9-12(14-2)15-10-16-13/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyOJLYGBHNAYEGGS-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
CID 102729101
N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864365
N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864331
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine (CID 104693081) is 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine is CCC1CCCCCN1c1cc(NC)ncn1.
What is the InChIKey of 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is OJLYGBHNAYEGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11-7-5-4-6-8-17(11)13-9-12(14-2)15-10-16-13/h9-11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 104693081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).