4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H11F3N6 — CID 69091994

IUPAC4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccn(C)n2)ncc1C(F)(F)F
InChIInChI=1S/C10H11F3N6/c1-14-8-6(10(11,12)13)5-15-9(17-8)16-7-3-4-19(2)18-7/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyXDBKWHDMKACIGP-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.01
Rot. Bonds3

About 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69091994) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69091994
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccn(C)n2)ncc1C(F)(F)F
InChIInChI=1S/C10H11F3N6/c1-14-8-6(10(11,12)13)5-15-9(17-8)16-7-3-4-19(2)18-7/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyXDBKWHDMKACIGP-UHFFFAOYSA-N
XLogP2.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825
US9932325, Example 183
CID 132232414
US9932325, Example 181
CID 132232421
US9932325, Example 179
CID 132232428
US9932325, Example 182
CID 132232466
US9932325, Example 190
CID 132244750
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
2-chloro-N-(1-propyltetrazol-5-yl)pyrimidin-4-amine
CID 168294048

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69091994) is 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2ccn(C)n2)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XDBKWHDMKACIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-14-8-6(10(11,12)13)5-15-9(17-8)16-7-3-4-19(2)18-7/h3-5H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 272.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69091994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).