2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H13F3N6 — CID 114565044

IUPAC2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ccnn2C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-15-10-18-8(11(12,13)14)5-9(19-10)16-6-7-3-4-17-20(7)2/h3-5H,6H2,1-2H3,(H2,15,16,18,19)
InChIKeyAHQRQDSYXPGSNN-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.88
Rot. Bonds4

About 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565044) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565044
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ccnn2C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-15-10-18-8(11(12,13)14)5-9(19-10)16-6-7-3-4-17-20(7)2/h3-5H,6H2,1-2H3,(H2,15,16,18,19)
InChIKeyAHQRQDSYXPGSNN-UHFFFAOYSA-N
XLogP1.88
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718481
6-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80830403
2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564512
2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564722
2-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565486
2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563917
2-N-methyl-4-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564539
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327611
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106042451

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565044) is 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCc2ccnn2C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is AHQRQDSYXPGSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-15-10-18-8(11(12,13)14)5-9(19-10)16-6-7-3-4-17-20(7)2/h3-5H,6H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).