N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine

C10H11F2N5 — CID 141373137

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(CC(F)F)c2)nc1
InChIInChI=1S/C10H11F2N5/c1-7-2-13-10(14-3-7)16-8-4-15-17(5-8)6-9(11)12/h2-5,9H,6H2,1H3,(H,13,14,16)
InChIKeyTYUIYYAELDDEKW-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine (PubChem CID 141373137) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine
PubChem CID141373137
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(CC(F)F)c2)nc1
InChIInChI=1S/C10H11F2N5/c1-7-2-13-10(14-3-7)16-8-4-15-17(5-8)6-9(11)12/h2-5,9H,6H2,1H3,(H,13,14,16)
InChIKeyTYUIYYAELDDEKW-UHFFFAOYSA-N
XLogP1.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
1-[5-Chloro-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclopropane-1-carbonitrile
CID 67818622
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281543
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
N4-methyl-N2-(1-methyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201491

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine (CID 141373137) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine is Cc1cnc(Nc2cnn(CC(F)F)c2)nc1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine?
The InChIKey is TYUIYYAELDDEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-7-2-13-10(14-3-7)16-8-4-15-17(5-8)6-9(11)12/h2-5,9H,6H2,1H3,(H,13,14,16).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine has a molecular weight of 239.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 141373137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).