5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine

C9H10ClFN6 — CID 50993722

IUPAC5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
SMILESCN(C)c1cc(Nc2nc(Cl)ncc2F)[nH]n1
InChIInChI=1S/C9H10ClFN6/c1-17(2)7-3-6(15-16-7)13-8-5(11)4-12-9(10)14-8/h3-4H,1-2H3,(H2,12,13,14,15,16)
InChIKeyGJFLTTSSCTZRDB-UHFFFAOYSA-N
MW256.67 g/mol
LogP1.80
Rot. Bonds3

About 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine

5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine (PubChem CID 50993722) has the molecular formula C9H10ClFN6 and a molecular weight of 256.67 g/mol. Its IUPAC name is 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
PubChem CID50993722
Molecular FormulaC9H10ClFN6
Molecular Weight256.67 g/mol
Exact Mass256.06
IUPAC Name5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
SMILESCN(C)c1cc(Nc2nc(Cl)ncc2F)[nH]n1
InChIInChI=1S/C9H10ClFN6/c1-17(2)7-3-6(15-16-7)13-8-5(11)4-12-9(10)14-8/h3-4H,1-2H3,(H2,12,13,14,15,16)
InChIKeyGJFLTTSSCTZRDB-UHFFFAOYSA-N
XLogP1.80
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-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

5-chloro-N4-[5-(dimethylamino)-1H-pyrazol-3-yl]-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 50993725
N4-[5-(dimethylamino)-1H-pyrazol-3-yl]-5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 50993726
2-chloro-N-(1-propyltetrazol-5-yl)pyrimidin-4-amine
CID 168294048
N-Propyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015218
N-ethyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 53015219
Pyrazolylaminopyrimidine
CID 66736044
2-Chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 50993642
5-fluoro-4-N-methyl-4-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 67970493
5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 67970494
5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 67988919
4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092262
4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093205

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The IUPAC name of 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine (CID 50993722) is 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine is CN(C)c1cc(Nc2nc(Cl)ncc2F)[nH]n1.
What is the InChIKey of 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The InChIKey is GJFLTTSSCTZRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN6/c1-17(2)7-3-6(15-16-7)13-8-5(11)4-12-9(10)14-8/h3-4H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine has a molecular weight of 256.67 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-5-fluoropyrimidin-4-yl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 50993722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).