2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C15H28N4 — CID 46225986

IUPAC2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCCCCCCNc1nc(C)cc(NC(C)C)n1
InChIInChI=1S/C15H28N4/c1-5-6-7-8-9-10-16-15-18-13(4)11-14(19-15)17-12(2)3/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyBKEZJCOPLDAJOF-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.99
Rot. Bonds9

About 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 46225986) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID46225986
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCCCCCCNc1nc(C)cc(NC(C)C)n1
InChIInChI=1S/C15H28N4/c1-5-6-7-8-9-10-16-15-18-13(4)11-14(19-15)17-12(2)3/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyBKEZJCOPLDAJOF-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 46225986) is 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CCCCCCCNc1nc(C)cc(NC(C)C)n1.
What is the InChIKey of 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is BKEZJCOPLDAJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-6-7-8-9-10-16-15-18-13(4)11-14(19-15)17-12(2)3/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).