4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C16H18F3N7 — CID 44824550

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc(N(C)Cc2ccn(C)n2)n1
InChIInChI=1S/C16H18F3N7/c1-10-12(9-26(4)22-10)13-7-14(16(17,18)19)21-15(20-13)24(2)8-11-5-6-25(3)23-11/h5-7,9H,8H2,1-4H3
InChIKeyGWYUSUMFJLUHOV-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.57
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824550) has the molecular formula C16H18F3N7 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824550
Molecular FormulaC16H18F3N7
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc(N(C)Cc2ccn(C)n2)n1
InChIInChI=1S/C16H18F3N7/c1-10-12(9-26(4)22-10)13-7-14(16(17,18)19)21-15(20-13)24(2)8-11-5-6-25(3)23-11/h5-7,9H,8H2,1-4H3
InChIKeyGWYUSUMFJLUHOV-UHFFFAOYSA-N
XLogP2.57
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine 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-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid
CID 19619640
N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821433
4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 46994629
4-(1,3-dimethylpyrazol-4-yl)-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586589
4-(1,3-dimethylpyrazol-4-yl)-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
CID 119056186
4-(1,3-dimethylpyrazol-4-yl)-13-methyl-11-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylic acid
CID 19916287
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19452152
3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774619
1-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824502
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107489191
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440913

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824550) is 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N(C)Cc2ccn(C)n2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GWYUSUMFJLUHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c1-10-12(9-26(4)22-10)13-7-14(16(17,18)19)21-15(20-13)24(2)8-11-5-6-25(3)23-11/h5-7,9H,8H2,1-4H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 365.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).