2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine

C12H16F2N4 — CID 143813096

IUPAC2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCC(C)(F)F.Cc1ncc(-c2cnn(C)c2)cn1
InChIInChI=1S/C9H10N4.C3H6F2/c1-7-10-3-8(4-11-7)9-5-12-13(2)6-9;1-3(2,4)5/h3-6H,1-2H3;1-2H3
InChIKeyVDSZQLIBWOTIAI-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.85
Rot. Bonds1

About 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine

2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 143813096) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID143813096
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCC(C)(F)F.Cc1ncc(-c2cnn(C)c2)cn1
InChIInChI=1S/C9H10N4.C3H6F2/c1-7-10-3-8(4-11-7)9-5-12-13(2)6-9;1-3(2,4)5/h3-6H,1-2H3;1-2H3
InChIKeyVDSZQLIBWOTIAI-UHFFFAOYSA-N
XLogP2.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine 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

5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
5-(1-Methylpyrazol-4-yl)pyrimidine
CID 58297062
5-ethyl-N-[(1-propyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72897270
2-methyl-6-[1-(3-methylbutyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyrimidine
CID 121496208
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012
1-[2-chloro-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-5,5-difluoro-N-methylpiperidin-3-amine
CID 146245412
4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 151294893
5-[1-(Trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 152138102
2-(4-Tert-butylpyrazol-1-yl)-5-fluoropyrimidine
CID 153298699
3-(4-Pyrimidin-2-ylpyridazin-1-ium-1-yl)propanenitrile;1,1,1-trifluoroethane
CID 162729603
4-N-fluoro-4-N-propyl-5-(1H-pyrazol-4-yl)pyrimidine-4,6-diamine
CID 164040890

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine (CID 143813096) is 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine is CC(C)(F)F.Cc1ncc(-c2cnn(C)c2)cn1.
What is the InChIKey of 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is VDSZQLIBWOTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C3H6F2/c1-7-10-3-8(4-11-7)9-5-12-13(2)6-9;1-3(2,4)5/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine?
2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 254.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 143813096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).