4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine

C16H22N4 — CID 115915312

IUPAC4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCC(C)N(CC)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-12(3)20(5-2)15-11-14(17)18-16(19-15)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyMJYVANZMSRMARE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds5

About 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915312) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID115915312
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCC(C)N(CC)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-12(3)20(5-2)15-11-14(17)18-16(19-15)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyMJYVANZMSRMARE-UHFFFAOYSA-N
XLogP3.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butan-2-yl-4-N-ethyl-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-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine (CID 115915312) is 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine is CCC(C)N(CC)c1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is MJYVANZMSRMARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-12(3)20(5-2)15-11-14(17)18-16(19-15)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).