5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

C13H10ClFN6 — CID 155514191

IUPAC5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)cc1
InChIInChI=1S/C13H10ClFN6/c14-11-7-16-13(20-10-5-17-18-6-10)21-12(11)19-9-3-1-8(15)2-4-9/h1-7H,(H,17,18)(H2,16,19,20,21)
InChIKeyILRZLFWBVIZOMP-UHFFFAOYSA-N
MW304.72 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 155514191) has the molecular formula C13H10ClFN6 and a molecular weight of 304.72 g/mol. Its IUPAC name is 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID155514191
Molecular FormulaC13H10ClFN6
Molecular Weight304.72 g/mol
Exact Mass304.06
IUPAC Name5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)cc1
InChIInChI=1S/C13H10ClFN6/c14-11-7-16-13(20-10-5-17-18-6-10)21-12(11)19-9-3-1-8(15)2-4-9/h1-7H,(H,17,18)(H2,16,19,20,21)
InChIKeyILRZLFWBVIZOMP-UHFFFAOYSA-N
XLogP3.48
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-5-Chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
CID 16097528
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 2421499
(3-Chloro-4-fluoro-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl-amine
CID 11817879
5-chloro-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949096
3-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxypropanamide
CID 141728810
7-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyheptanamide
CID 141728813
4-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxybutanamide
CID 141728843
8-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyoctanamide
CID 141728845
5-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxypentanamide
CID 141728867
6-[4-[[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyhexanamide
CID 141728873
N-(2-Fluorophenyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 42226831
N4-(5-Methyl-1H-pyrazol-3-yl)-N2-phenylpyrimidine-2,4-diamine
CID 155556377

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (CID 155514191) is 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is Fc1ccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is ILRZLFWBVIZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN6/c14-11-7-16-13(20-10-5-17-18-6-10)21-12(11)19-9-3-1-8(15)2-4-9/h1-7H,(H,17,18)(H2,16,19,20,21).
What are the key properties of 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 304.72 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-fluorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).