6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine

C15H16N4 — CID 25138227

IUPAC6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1C#CCc1ccccc1
InChIInChI=1S/C15H16N4/c1-2-13-12(14(16)19-15(17)18-13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,9H2,1H3,(H4,16,17,18,19)
InChIKeyLZRXPKDKRFTIGM-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.80
Rot. Bonds2

About 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine

6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine (PubChem CID 25138227) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine
PubChem CID25138227
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1C#CCc1ccccc1
InChIInChI=1S/C15H16N4/c1-2-13-12(14(16)19-15(17)18-13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,9H2,1H3,(H4,16,17,18,19)
InChIKeyLZRXPKDKRFTIGM-UHFFFAOYSA-N
XLogP1.80
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-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

Pyrimethamine
CID 4993
Mepanipyrim
CID 86296
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4,6-Diphenylpyrimidin-2-amine
CID 619024
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine (CID 25138227) is 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1C#CCc1ccccc1.
What is the InChIKey of 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine?
The InChIKey is LZRXPKDKRFTIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-13-12(14(16)19-15(17)18-13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,9H2,1H3,(H4,16,17,18,19).
What are the key properties of 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine?
6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(3-phenylprop-1-ynyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25138227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).