2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C18H26N4 — CID 112899258

IUPAC2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nccc(NCCCc2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-3-4-15-22(2)18-20-14-12-17(21-18)19-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,12,14H,3-4,8,11,13,15H2,1-2H3,(H,19,20,21)
InChIKeyJRDVPIMNPPIQEN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.76
Rot. Bonds9

About 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine

2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112899258) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112899258
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nccc(NCCCc2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-3-4-15-22(2)18-20-14-12-17(21-18)19-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,12,14H,3-4,8,11,13,15H2,1-2H3,(H,19,20,21)
InChIKeyJRDVPIMNPPIQEN-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 112900678
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826
2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889740
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882168
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
4-N-[3-(3-chlorophenyl)propyl]-2-N,2-N-diethylpyrimidine-2,4-diamine
CID 166340795
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112899258) is 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is CCCCN(C)c1nccc(NCCCc2ccccc2)n1.
What is the InChIKey of 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is JRDVPIMNPPIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-4-15-22(2)18-20-14-12-17(21-18)19-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,12,14H,3-4,8,11,13,15H2,1-2H3,(H,19,20,21).
What are the key properties of 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).