6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C16H28N4 — CID 80814880

IUPAC6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCC2CCCCC2C)n1
InChIInChI=1S/C16H28N4/c1-4-9-17-16-19-13(3)10-15(20-16)18-11-14-8-6-5-7-12(14)2/h10,12,14H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyPBCBAIYTKMEYEH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.85
Rot. Bonds6

About 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80814880) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80814880
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCC2CCCCC2C)n1
InChIInChI=1S/C16H28N4/c1-4-9-17-16-19-13(3)10-15(20-16)18-11-14-8-6-5-7-12(14)2/h10,12,14H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyPBCBAIYTKMEYEH-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
4-N-(2-ethylcyclohexyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80803006
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 107421236
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
4-methyl-N-[(2-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107419381
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80814880) is 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCC2CCCCC2C)n1.
What is the InChIKey of 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PBCBAIYTKMEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-9-17-16-19-13(3)10-15(20-16)18-11-14-8-6-5-7-12(14)2/h10,12,14H,4-9,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80814880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).