2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine

C14H13ClF3N3O — CID 166561359

IUPAC2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine
SMILESCc1cc2c(OC[C@@H]3C[C@H]3C(F)(F)F)nc(Cl)nc2nc1C
InChIInChI=1S/C14H13ClF3N3O/c1-6-3-9-11(19-7(6)2)20-13(15)21-12(9)22-5-8-4-10(8)14(16,17)18/h3,8,10H,4-5H2,1-2H3/t8-,10+/m0/s1
InChIKeyBMXJKMLWOMHDPP-WCBMZHEXSA-N
MW331.73 g/mol
LogP3.87
Rot. Bonds3

About 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine

2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 166561359) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine
PubChem CID166561359
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC Name2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine
SMILESCc1cc2c(OC[C@@H]3C[C@H]3C(F)(F)F)nc(Cl)nc2nc1C
InChIInChI=1S/C14H13ClF3N3O/c1-6-3-9-11(19-7(6)2)20-13(15)21-12(9)22-5-8-4-10(8)14(16,17)18/h3,8,10H,4-5H2,1-2H3/t8-,10+/m0/s1
InChIKeyBMXJKMLWOMHDPP-WCBMZHEXSA-N
XLogP3.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

4-But-3-enoxy-2-(trifluoromethyl)quinazoline
CID 13675039
7-Methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine
CID 58755639
4-Methoxy-7-methyl-2-(trifluoromethyl)-1,8-naphthyridine
CID 70329519
2-Phenoxy-7-(trifluoromethyl)-1,8-naphthyridine
CID 141387441
2-Chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine
CID 157044456
2-Chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045705
4,6-Dichloro-7-(2,2-difluoroethoxy)-2-methylpyrido[2,3-d]pyrimidine
CID 164596820
2-chloro-6,7-dimethyl-4-[[(1R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine
CID 167284134
6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 167433204
6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 167433210
6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 167433212
2-Chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline
CID 168906557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine (CID 166561359) is 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine is Cc1cc2c(OC[C@@H]3C[C@H]3C(F)(F)F)nc(Cl)nc2nc1C.
What is the InChIKey of 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine?
The InChIKey is BMXJKMLWOMHDPP-WCBMZHEXSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-6-3-9-11(19-7(6)2)20-13(15)21-12(9)22-5-8-4-10(8)14(16,17)18/h3,8,10H,4-5H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine?
2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 331.73 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethyl-4-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166561359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).