4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C15H20F3N7O — CID 69281524

IUPAC4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C(F)(F)F
InChIInChI=1S/C15H20F3N7O/c1-19-13-12(15(16,17)18)9-20-14(23-13)22-11-8-21-25(10-11)3-2-24-4-6-26-7-5-24/h8-10H,2-7H2,1H3,(H2,19,20,22,23)
InChIKeyGRWXCVGRBKZSMW-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.81
Rot. Bonds6

About 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69281524) has the molecular formula C15H20F3N7O and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69281524
Molecular FormulaC15H20F3N7O
Molecular Weight371.37 g/mol
Exact Mass371.17
IUPAC Name4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C(F)(F)F
InChIInChI=1S/C15H20F3N7O/c1-19-13-12(15(16,17)18)9-20-14(23-13)22-11-8-21-25(10-11)3-2-24-4-6-26-7-5-24/h8-10H,2-7H2,1H3,(H2,19,20,22,23)
InChIKeyGRWXCVGRBKZSMW-UHFFFAOYSA-N
XLogP1.81
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69281524) is 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GRWXCVGRBKZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N7O/c1-19-13-12(15(16,17)18)9-20-14(23-13)22-11-8-21-25(10-11)3-2-24-4-6-26-7-5-24/h8-10H,2-7H2,1H3,(H2,19,20,22,23).
What are the key properties of 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 371.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).