4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C16H24F3N7 — CID 131984439

IUPAC4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cn(C2CCN(C)CC2)nc1NC1=NC(C)(N)C(C(F)(F)F)=CN1
InChIInChI=1S/C16H24F3N7/c1-10-9-26(11-4-6-25(3)7-5-11)24-13(10)22-14-21-8-12(16(17,18)19)15(2,20)23-14/h8-9,11H,4-7,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyPDCRSCJRAOKQKN-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.95
Rot. Bonds2

About 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 131984439) has the molecular formula C16H24F3N7 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID131984439
Molecular FormulaC16H24F3N7
Molecular Weight371.41 g/mol
Exact Mass371.20
IUPAC Name4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cn(C2CCN(C)CC2)nc1NC1=NC(C)(N)C(C(F)(F)F)=CN1
InChIInChI=1S/C16H24F3N7/c1-10-9-26(11-4-6-25(3)7-5-11)24-13(10)22-14-21-8-12(16(17,18)19)15(2,20)23-14/h8-9,11H,4-7,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyPDCRSCJRAOKQKN-UHFFFAOYSA-N
XLogP1.95
TPSA83.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 131984439) is 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is Cc1cn(C2CCN(C)CC2)nc1NC1=NC(C)(N)C(C(F)(F)F)=CN1.
What is the InChIKey of 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is PDCRSCJRAOKQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N7/c1-10-9-26(11-4-6-25(3)7-5-11)24-13(10)22-14-21-8-12(16(17,18)19)15(2,20)23-14/h8-9,11H,4-7,20H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 371.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 131984439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).