6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine

C16H21FN4 — CID 80942361

IUPAC6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C16H21FN4/c1-4-7-14-19-15(18-5-2)11-16(20-14)21(3)13-9-6-8-12(17)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyJDMLVSCUHXTXOR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.77
Rot. Bonds6

About 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80942361) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80942361
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C16H21FN4/c1-4-7-14-19-15(18-5-2)11-16(20-14)21(3)13-9-6-8-12(17)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyJDMLVSCUHXTXOR-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-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

Related Compounds

6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947636
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934393
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80942361) is 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is JDMLVSCUHXTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-7-14-19-15(18-5-2)11-16(20-14)21(3)13-9-6-8-12(17)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80942361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).