2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine

C15H20N4 — CID 11043367

IUPAC2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCCCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12-18-14(16)11-15(19-12)17-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyINEIBRMHZVXISQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds6

About 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine

2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine (PubChem CID 11043367) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
PubChem CID11043367
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCCCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12-18-14(16)11-15(19-12)17-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyINEIBRMHZVXISQ-UHFFFAOYSA-N
XLogP2.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
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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Related Compounds

4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700
4-N-(3-chlorophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875777
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112873142
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine (CID 11043367) is 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NCCCCc2ccccc2)n1.
What is the InChIKey of 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine?
The InChIKey is INEIBRMHZVXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-18-14(16)11-15(19-12)17-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 11043367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).