5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80838810

IUPAC5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)CCC(C)C)c1C
InChIInChI=1S/C15H28N4/c1-6-9-16-14-13(5)15(18-10-17-14)19-12(4)8-7-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyRICJHZMMDOASOP-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.84
Rot. Bonds8

About 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine

5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80838810) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80838810
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)CCC(C)C)c1C
InChIInChI=1S/C15H28N4/c1-6-9-16-14-13(5)15(18-10-17-14)19-12(4)8-7-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyRICJHZMMDOASOP-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897379

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80838810) is 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)CCC(C)C)c1C.
What is the InChIKey of 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is RICJHZMMDOASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-16-14-13(5)15(18-10-17-14)19-12(4)8-7-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80838810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).