5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine

C11H13ClF2N6 — CID 71612465

IUPAC5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1c(Nc2ncc(Cl)c(NCC(F)F)n2)cnn1C
InChIInChI=1S/C11H13ClF2N6/c1-6-8(4-17-20(6)2)18-11-16-3-7(12)10(19-11)15-5-9(13)14/h3-4,9H,5H2,1-2H3,(H2,15,16,18,19)
InChIKeyWXKOFSMSYCZRGZ-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.59
Rot. Bonds5

About 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 71612465) has the molecular formula C11H13ClF2N6 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID71612465
Molecular FormulaC11H13ClF2N6
Molecular Weight302.72 g/mol
Exact Mass302.09
IUPAC Name5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1c(Nc2ncc(Cl)c(NCC(F)F)n2)cnn1C
InChIInChI=1S/C11H13ClF2N6/c1-6-8(4-17-20(6)2)18-11-16-3-7(12)10(19-11)15-5-9(13)14/h3-4,9H,5H2,1-2H3,(H2,15,16,18,19)
InChIKeyWXKOFSMSYCZRGZ-UHFFFAOYSA-N
XLogP2.59
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine 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

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
2-Methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 67817055
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
2-N-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69085771
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
1-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclopropane-1-carbonitrile
CID 69093717
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 71612465) is 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine is Cc1c(Nc2ncc(Cl)c(NCC(F)F)n2)cnn1C.
What is the InChIKey of 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is WXKOFSMSYCZRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N6/c1-6-8(4-17-20(6)2)18-11-16-3-7(12)10(19-11)15-5-9(13)14/h3-4,9H,5H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 302.72 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71612465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).