[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone

C19H19ClF3N5O — CID 134547348

IUPAC[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
SMILESCCc1ccnc(NC2=C(N)CN(C(=O)c3cccc(C(F)(F)F)c3Cl)CC2)n1
InChIInChI=1S/C19H19ClF3N5O/c1-2-11-6-8-25-18(26-11)27-15-7-9-28(10-14(15)24)17(29)12-4-3-5-13(16(12)20)19(21,22)23/h3-6,8H,2,7,9-10,24H2,1H3,(H,25,26,27)
InChIKeyUZAHEGMDFXFOIT-UHFFFAOYSA-N
MW425.84 g/mol
LogP3.84
Rot. Bonds4

About [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone

[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 134547348) has the molecular formula C19H19ClF3N5O and a molecular weight of 425.84 g/mol. Its IUPAC name is [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
PubChem CID134547348
Molecular FormulaC19H19ClF3N5O
Molecular Weight425.84 g/mol
Exact Mass425.12
IUPAC Name[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
SMILESCCc1ccnc(NC2=C(N)CN(C(=O)c3cccc(C(F)(F)F)c3Cl)CC2)n1
InChIInChI=1S/C19H19ClF3N5O/c1-2-11-6-8-25-18(26-11)27-15-7-9-28(10-14(15)24)17(29)12-4-3-5-13(16(12)20)19(21,22)23/h3-6,8H,2,7,9-10,24H2,1H3,(H,25,26,27)
InChIKeyUZAHEGMDFXFOIT-UHFFFAOYSA-N
XLogP3.84
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone (CID 134547348) is [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone is CCc1ccnc(NC2=C(N)CN(C(=O)c3cccc(C(F)(F)F)c3Cl)CC2)n1.
What is the InChIKey of [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is UZAHEGMDFXFOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O/c1-2-11-6-8-25-18(26-11)27-15-7-9-28(10-14(15)24)17(29)12-4-3-5-13(16(12)20)19(21,22)23/h3-6,8H,2,7,9-10,24H2,1H3,(H,25,26,27).
What are the key properties of [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone?
[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 425.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134547348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).