4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine

C17H24N4 — CID 135271044

IUPAC4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCc1ccccc1
InChIInChI=1S/C17H24N4/c1-3-4-12-19-16-15(13(2)20-17(18)21-16)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3,(H3,18,19,20,21)
InChIKeyRWMBDVJGYSHEFZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.36
Rot. Bonds7

About 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine

4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 135271044) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID135271044
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCc1ccccc1
InChIInChI=1S/C17H24N4/c1-3-4-12-19-16-15(13(2)20-17(18)21-16)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3,(H3,18,19,20,21)
InChIKeyRWMBDVJGYSHEFZ-UHFFFAOYSA-N
XLogP3.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.36
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 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine (CID 135271044) is 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCc1ccccc1.
What is the InChIKey of 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is RWMBDVJGYSHEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-4-12-19-16-15(13(2)20-17(18)21-16)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine?
4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135271044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).