4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine

C14H18N4 — CID 112559774

IUPAC4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-15-12-10-13(16-4-2)18-14(17-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyMPHXPKHHBOYAGF-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.01
Rot. Bonds5

About 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine

4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112559774) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112559774
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-15-12-10-13(16-4-2)18-14(17-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyMPHXPKHHBOYAGF-UHFFFAOYSA-N
XLogP3.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine (CID 112559774) is 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine is CCNc1cc(NCC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is MPHXPKHHBOYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-15-12-10-13(16-4-2)18-14(17-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112559774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).