2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine

C17H28N4 — CID 80961016

IUPAC2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCCC1CCC(Nc2cc(NC)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H28N4/c1-3-4-12-5-9-14(10-6-12)19-16-11-15(18-2)20-17(21-16)13-7-8-13/h11-14H,3-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyLCEMJWWZTAMYQY-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.17
Rot. Bonds6

About 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80961016) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80961016
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCCC1CCC(Nc2cc(NC)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H28N4/c1-3-4-12-5-9-14(10-6-12)19-16-11-15(18-2)20-17(21-16)13-7-8-13/h11-14H,3-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyLCEMJWWZTAMYQY-UHFFFAOYSA-N
XLogP4.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65401576
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149
2-N-(4-propylcyclohexyl)quinoline-2,6-diamine
CID 63402555
N-(4-propylcyclohexyl)quinoxalin-2-amine
CID 63541975
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 65390530
6-cyclopropyl-N-ethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402191
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 66324652

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine (CID 80961016) is 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine is CCCC1CCC(Nc2cc(NC)nc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is LCEMJWWZTAMYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-4-12-5-9-14(10-6-12)19-16-11-15(18-2)20-17(21-16)13-7-8-13/h11-14H,3-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).