4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80837025

IUPAC4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC(C)(C)CC2)nc(C)n1
InChIInChI=1S/C16H28N4/c1-5-10-17-14-11-15(19-12(2)18-14)20-13-6-8-16(3,4)9-7-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyROBUADQAMVKPCA-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.99
Rot. Bonds5

About 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80837025) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80837025
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC(C)(C)CC2)nc(C)n1
InChIInChI=1S/C16H28N4/c1-5-10-17-14-11-15(19-12(2)18-14)20-13-6-8-16(3,4)9-7-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyROBUADQAMVKPCA-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,3-dimethylcyclopentyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114542094
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114542196
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
N-(4,4-dimethylcyclohexyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66327750
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80837025) is 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCC(C)(C)CC2)nc(C)n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ROBUADQAMVKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-10-17-14-11-15(19-12(2)18-14)20-13-6-8-16(3,4)9-7-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80837025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).