4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

C13H10ClFN6 — CID 155557023

IUPAC4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cn[nH]c2)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN6/c14-8-1-3-9(4-2-8)19-12-11(15)7-16-13(21-12)20-10-5-17-18-6-10/h1-7H,(H,17,18)(H2,16,19,20,21)
InChIKeyNKFZXIRRRNVZFC-UHFFFAOYSA-N
MW304.72 g/mol
LogP3.48
Rot. Bonds4

About 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 155557023) has the molecular formula C13H10ClFN6 and a molecular weight of 304.72 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID155557023
Molecular FormulaC13H10ClFN6
Molecular Weight304.72 g/mol
Exact Mass304.06
IUPAC Name4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cn[nH]c2)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN6/c14-8-1-3-9(4-2-8)19-12-11(15)7-16-13(21-12)20-10-5-17-18-6-10/h1-7H,(H,17,18)(H2,16,19,20,21)
InChIKeyNKFZXIRRRNVZFC-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (CID 155557023) is 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is Fc1cnc(Nc2cn[nH]c2)nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is NKFZXIRRRNVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN6/c14-8-1-3-9(4-2-8)19-12-11(15)7-16-13(21-12)20-10-5-17-18-6-10/h1-7H,(H,17,18)(H2,16,19,20,21).
What are the key properties of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-5-fluoro-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 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155557023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).