5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C12H14FN5 — CID 80791974

IUPAC5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1nc(N)ncc1F
InChIInChI=1S/C12H14FN5/c1-18(7-4-9-2-5-15-6-3-9)11-10(13)8-16-12(14)17-11/h2-3,5-6,8H,4,7H2,1H3,(H2,14,16,17)
InChIKeyPAHYTQGNGSLQIU-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.27
Rot. Bonds4

About 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80791974) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80791974
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1nc(N)ncc1F
InChIInChI=1S/C12H14FN5/c1-18(7-4-9-2-5-15-6-3-9)11-10(13)8-16-12(14)17-11/h2-3,5-6,8H,4,7H2,1H3,(H2,14,16,17)
InChIKeyPAHYTQGNGSLQIU-UHFFFAOYSA-N
XLogP1.27
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)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

4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
5-fluoro-2-hydrazinyl-N-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80931324
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 79075884
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80793731
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80791974) is 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is PAHYTQGNGSLQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-18(7-4-9-2-5-15-6-3-9)11-10(13)8-16-12(14)17-11/h2-3,5-6,8H,4,7H2,1H3,(H2,14,16,17).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 247.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80791974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).