3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide

C23H25F2N5O — CID 44527838

IUPAC3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide
SMILESCc1cc(NCCC(=O)NCc2cccc(F)c2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25F2N5O/c1-16-13-21(26-12-10-22(31)28-15-18-3-2-4-20(25)14-18)30-23(29-16)27-11-9-17-5-7-19(24)8-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,28,31)(H2,26,27,29,30)
InChIKeyQPWGVCUWJIOZFR-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.84
Rot. Bonds10

About 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide

3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 44527838) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID44527838
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide
SMILESCc1cc(NCCC(=O)NCc2cccc(F)c2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25F2N5O/c1-16-13-21(26-12-10-22(31)28-15-18-3-2-4-20(25)14-18)30-23(29-16)27-11-9-17-5-7-19(24)8-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,28,31)(H2,26,27,29,30)
InChIKeyQPWGVCUWJIOZFR-UHFFFAOYSA-N
XLogP3.84
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide 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

2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-[(3-fluorophenyl)methyl]propanamide;2,2,2-trifluoroacetic acid
CID 44527736
(2S)-2-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]-4-methylpentanamide;2,2,2-trifluoroacetic acid
CID 44527859
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112920855
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915799
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide (CID 44527838) is 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide is Cc1cc(NCCC(=O)NCc2cccc(F)c2)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is QPWGVCUWJIOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c1-16-13-21(26-12-10-22(31)28-15-18-3-2-4-20(25)14-18)30-23(29-16)27-11-9-17-5-7-19(24)8-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,28,31)(H2,26,27,29,30).
What are the key properties of 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide?
3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 425.48 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 44527838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).