4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine

C15H26N4 — CID 79122066

IUPAC4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)c2ccnc(C)n2)CC1
InChIInChI=1S/C15H26N4/c1-4-10-17-13-5-7-14(8-6-13)19(3)15-9-11-16-12(2)18-15/h9,11,13-14,17H,4-8,10H2,1-3H3
InChIKeyFZEPYIFYEUJYOJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds5

About 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine (PubChem CID 79122066) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine
PubChem CID79122066
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)c2ccnc(C)n2)CC1
InChIInChI=1S/C15H26N4/c1-4-10-17-13-5-7-14(8-6-13)19(3)15-9-11-16-12(2)18-15/h9,11,13-14,17H,4-8,10H2,1-3H3
InChIKeyFZEPYIFYEUJYOJ-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62770071
N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
CID 66182049
4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958273
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110806
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 115993876
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122692

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine (CID 79122066) is 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)c2ccnc(C)n2)CC1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is FZEPYIFYEUJYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-10-17-13-5-7-14(8-6-13)19(3)15-9-11-16-12(2)18-15/h9,11,13-14,17H,4-8,10H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).