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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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).