4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine

C16H11ClF4N6O — CID 66556058

IUPAC4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine
SMILESNc1cccc(Nc2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ncc2F)n1
InChIInChI=1S/C16H11ClF4N6O/c17-9-6-8(4-5-11(9)28-16(19,20)21)24-15-23-7-10(18)14(27-15)26-13-3-1-2-12(22)25-13/h1-7H,(H4,22,23,24,25,26,27)
InChIKeyZFQPTDCFDMJBAT-UHFFFAOYSA-N
MW414.75 g/mol
LogP4.63
Rot. Bonds5

About 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine

4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 66556058) has the molecular formula C16H11ClF4N6O and a molecular weight of 414.75 g/mol. Its IUPAC name is 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID66556058
Molecular FormulaC16H11ClF4N6O
Molecular Weight414.75 g/mol
Exact Mass414.06
IUPAC Name4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine
SMILESNc1cccc(Nc2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ncc2F)n1
InChIInChI=1S/C16H11ClF4N6O/c17-9-6-8(4-5-11(9)28-16(19,20)21)24-15-23-7-10(18)14(27-15)26-13-3-1-2-12(22)25-13/h1-7H,(H4,22,23,24,25,26,27)
InChIKeyZFQPTDCFDMJBAT-UHFFFAOYSA-N
XLogP4.63
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.75
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-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-[[4-[3-chloro-4-(trifluoromethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methoxy-N-methylbenzenesulfonamide
CID 25123668
2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665935
3-[5-[[4-[3-chloro-4-(trifluoromethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol
CID 22060951
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
2-[4-[[4-[3-chloro-4-(cyanomethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]phenyl]acetonitrile
CID 66938999
4-[[4-[3-chloro-4-(cyanomethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]benzamide
CID 15951658
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659
2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060532
6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
CID 122443345
N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine
CID 90292040

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine (CID 66556058) is 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine is Nc1cccc(Nc2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ncc2F)n1.
What is the InChIKey of 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is ZFQPTDCFDMJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N6O/c17-9-6-8(4-5-11(9)28-16(19,20)21)24-15-23-7-10(18)14(27-15)26-13-3-1-2-12(22)25-13/h1-7H,(H4,22,23,24,25,26,27).
What are the key properties of 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine?
4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 414.75 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 66556058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).