N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine

C15H25N3 — CID 62745997

IUPACN-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)nc(C2CCCCC2)nc1C
InChIInChI=1S/C15H25N3/c1-4-16-10-14-11(2)17-15(18-12(14)3)13-8-6-5-7-9-13/h13,16H,4-10H2,1-3H3
InChIKeyNMKIYORLOVXBAK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.25
Rot. Bonds4

About N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine

N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 62745997) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
PubChem CID62745997
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)nc(C2CCCCC2)nc1C
InChIInChI=1S/C15H25N3/c1-4-16-10-14-11(2)17-15(18-12(14)3)13-8-6-5-7-9-13/h13,16H,4-10H2,1-3H3
InChIKeyNMKIYORLOVXBAK-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271008
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-N-butyl-6-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271045
4-N-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 145979503
5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155512682
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine (CID 62745997) is N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine is CCNCc1c(C)nc(C2CCCCC2)nc1C.
What is the InChIKey of N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is NMKIYORLOVXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-10-14-11(2)17-15(18-12(14)3)13-8-6-5-7-9-13/h13,16H,4-10H2,1-3H3.
What are the key properties of N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine?
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 62745997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).