N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine

C14H24N4 — CID 63985221

IUPACN-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCC1CCC(N(C)C(CN)c2ccncn2)CC1
InChIInChI=1S/C14H24N4/c1-11-3-5-12(6-4-11)18(2)14(9-15)13-7-8-16-10-17-13/h7-8,10-12,14H,3-6,9,15H2,1-2H3
InChIKeyNSVIESGENIBYCT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine

N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63985221) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63985221
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCC1CCC(N(C)C(CN)c2ccncn2)CC1
InChIInChI=1S/C14H24N4/c1-11-3-5-12(6-4-11)18(2)14(9-15)13-7-8-16-10-17-13/h7-8,10-12,14H,3-6,9,15H2,1-2H3
InChIKeyNSVIESGENIBYCT-UHFFFAOYSA-N
XLogP1.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine (CID 63985221) is N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine is CC1CCC(N(C)C(CN)c2ccncn2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is NSVIESGENIBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-3-5-12(6-4-11)18(2)14(9-15)13-7-8-16-10-17-13/h7-8,10-12,14H,3-6,9,15H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine?
N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63985221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).