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

C20H30N4 — CID 135271042

IUPAC4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCCCc1ccccc1
InChIInChI=1S/C20H30N4/c1-3-4-15-22-19-18(16(2)23-20(21)24-19)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H3,21,22,23,24)
InChIKeyDIRPIGQAUTXKSB-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.53
Rot. Bonds10

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

4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine (PubChem CID 135271042) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine
PubChem CID135271042
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCCCc1ccccc1
InChIInChI=1S/C20H30N4/c1-3-4-15-22-19-18(16(2)23-20(21)24-19)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H3,21,22,23,24)
InChIKeyDIRPIGQAUTXKSB-UHFFFAOYSA-N
XLogP4.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.53
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-(5-phenylpentyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine (CID 135271042) is 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCCCc1ccccc1.
What is the InChIKey of 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine?
The InChIKey is DIRPIGQAUTXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-3-4-15-22-19-18(16(2)23-20(21)24-19)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine?
4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine has a molecular weight of 326.49 g/mol, XLogP of 4.53, 10 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-(5-phenylpentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135271042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).