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

C10H13F3N6 — CID 150173515

IUPAC4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cn[nH]c1NC1=NC(C)(N)C(C(F)(F)F)=CN1
InChIInChI=1S/C10H13F3N6/c1-5-3-16-19-7(5)17-8-15-4-6(10(11,12)13)9(2,14)18-8/h3-4H,14H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyFJXVESPKDPNIAW-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.21
Rot. Bonds1

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

4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 150173515) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID150173515
Molecular FormulaC10H13F3N6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Name4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cn[nH]c1NC1=NC(C)(N)C(C(F)(F)F)=CN1
InChIInChI=1S/C10H13F3N6/c1-5-3-16-19-7(5)17-8-15-4-6(10(11,12)13)9(2,14)18-8/h3-4H,14H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyFJXVESPKDPNIAW-UHFFFAOYSA-N
XLogP1.21
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 162544743
4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
CID 166703183
1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115635303
1-(4-ethyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116013256
4-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 153928361
N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 162605498
N-ethyl-4-methyl-1H-pyrazol-5-amine
CID 90881418
4,5-Dihydro-1h-pyrazolo[3,4-d]pyrimidine
CID 135979561
6,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine
CID 136410712
6,7,8,9-tetrahydro-1H-pyrazolo[5,4-b][1,5]diazocine
CID 136427670
4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 137136360
ethane;N-ethyl-4-methyl-1H-pyrazol-5-amine
CID 144025912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 150173515) is 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is Cc1cn[nH]c1NC1=NC(C)(N)C(C(F)(F)F)=CN1.
What is the InChIKey of 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is FJXVESPKDPNIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c1-5-3-16-19-7(5)17-8-15-4-6(10(11,12)13)9(2,14)18-8/h3-4H,14H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 274.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150173515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).