N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine

C16H21FN4 — CID 61240901

IUPACN'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCCc1cc(N(CCCN)c2ccccc2F)ncn1
InChIInChI=1S/C16H21FN4/c1-2-6-13-11-16(20-12-19-13)21(10-5-9-18)15-8-4-3-7-14(15)17/h3-4,7-8,11-12H,2,5-6,9-10,18H2,1H3
InChIKeyVFLIHBQTXOZMRR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.06
Rot. Bonds7

About N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine

N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 61240901) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID61240901
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC NameN'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCCc1cc(N(CCCN)c2ccccc2F)ncn1
InChIInChI=1S/C16H21FN4/c1-2-6-13-11-16(20-12-19-13)21(10-5-9-18)15-8-4-3-7-14(15)17/h3-4,7-8,11-12H,2,5-6,9-10,18H2,1H3
InChIKeyVFLIHBQTXOZMRR-UHFFFAOYSA-N
XLogP3.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-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

Pyrimethanil
CID 91650
Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Amprolium ion
CID 2178
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine (CID 61240901) is N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine is CCCc1cc(N(CCCN)c2ccccc2F)ncn1.
What is the InChIKey of N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is VFLIHBQTXOZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-2-6-13-11-16(20-12-19-13)21(10-5-9-18)15-8-4-3-7-14(15)17/h3-4,7-8,11-12H,2,5-6,9-10,18H2,1H3.
What are the key properties of N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61240901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).