5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine

C14H14ClF3N6 — CID 170633047

IUPAC5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
SMILESCc1c(-c2nc(C(F)(F)F)cn2CC2=NCC(Cl)=CN2)cnn1C
InChIInChI=1S/C14H14ClF3N6/c1-8-10(5-21-23(8)2)13-22-11(14(16,17)18)6-24(13)7-12-19-3-9(15)4-20-12/h3,5-6H,4,7H2,1-2H3,(H,19,20)
InChIKeyHQNFYCODBBHQFM-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.69
Rot. Bonds3

About 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine

5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine (PubChem CID 170633047) has the molecular formula C14H14ClF3N6 and a molecular weight of 358.76 g/mol. Its IUPAC name is 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
PubChem CID170633047
Molecular FormulaC14H14ClF3N6
Molecular Weight358.76 g/mol
Exact Mass358.09
IUPAC Name5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
SMILESCc1c(-c2nc(C(F)(F)F)cn2CC2=NCC(Cl)=CN2)cnn1C
InChIInChI=1S/C14H14ClF3N6/c1-8-10(5-21-23(8)2)13-22-11(14(16,17)18)6-24(13)7-12-19-3-9(15)4-20-12/h3,5-6H,4,7H2,1-2H3,(H,19,20)
InChIKeyHQNFYCODBBHQFM-UHFFFAOYSA-N
XLogP2.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
4-N-ethyl-2-N-[3-methyl-1-[2-(1-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
The IUPAC name of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine (CID 170633047) is 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine is Cc1c(-c2nc(C(F)(F)F)cn2CC2=NCC(Cl)=CN2)cnn1C.
What is the InChIKey of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
The InChIKey is HQNFYCODBBHQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N6/c1-8-10(5-21-23(8)2)13-22-11(14(16,17)18)6-24(13)7-12-19-3-9(15)4-20-12/h3,5-6H,4,7H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine?
5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine has a molecular weight of 358.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 170633047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).