4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine

C15H20N4 — CID 112883682

IUPAC4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(NCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-3-12(2)18-15-16-10-9-14(19-15)17-11-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H2,16,17,18,19)
InChIKeyQBIPMCSVVHWUJB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds6

About 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine

4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine (PubChem CID 112883682) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
PubChem CID112883682
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(NCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-3-12(2)18-15-16-10-9-14(19-15)17-11-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H2,16,17,18,19)
InChIKeyQBIPMCSVVHWUJB-UHFFFAOYSA-N
XLogP3.30
TPSA49.84 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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883701
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882168
2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883783
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine (CID 112883682) is 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine is CCC(C)Nc1nccc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine?
The InChIKey is QBIPMCSVVHWUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-12(2)18-15-16-10-9-14(19-15)17-11-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112883682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).