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

C14H13FN6O — CID 155560842

IUPAC5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cn[nH]c3)ncc2F)cc1
InChIInChI=1S/C14H13FN6O/c1-22-11-4-2-9(3-5-11)19-13-12(15)8-16-14(21-13)20-10-6-17-18-7-10/h2-8H,1H3,(H,17,18)(H2,16,19,20,21)
InChIKeyOQVDHUPSWVMVHE-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.83
Rot. Bonds5

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

5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 155560842) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID155560842
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cn[nH]c3)ncc2F)cc1
InChIInChI=1S/C14H13FN6O/c1-22-11-4-2-9(3-5-11)19-13-12(15)8-16-14(21-13)20-10-6-17-18-7-10/h2-8H,1H3,(H,17,18)(H2,16,19,20,21)
InChIKeyOQVDHUPSWVMVHE-UHFFFAOYSA-N
XLogP2.83
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (CID 155560842) is 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3cn[nH]c3)ncc2F)cc1.
What is the InChIKey of 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is OQVDHUPSWVMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O/c1-22-11-4-2-9(3-5-11)19-13-12(15)8-16-14(21-13)20-10-6-17-18-7-10/h2-8H,1H3,(H,17,18)(H2,16,19,20,21).
What are the key properties of 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 300.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(4-methoxyphenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155560842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).