6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine

C16H16FN5 — CID 53013883

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCc3cccc(F)c3)ncn2)n1
InChIInChI=1S/C16H16FN5/c1-11-6-12(2)22(21-11)16-8-15(19-10-20-16)18-9-13-4-3-5-14(17)7-13/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyNOSNGARTRAFNOR-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.03
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 53013883) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID53013883
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCc3cccc(F)c3)ncn2)n1
InChIInChI=1S/C16H16FN5/c1-11-6-12(2)22(21-11)16-8-15(19-10-20-16)18-9-13-4-3-5-14(17)7-13/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyNOSNGARTRAFNOR-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine (CID 53013883) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine is Cc1cc(C)n(-c2cc(NCc3cccc(F)c3)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is NOSNGARTRAFNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-6-12(2)22(21-11)16-8-15(19-10-20-16)18-9-13-4-3-5-14(17)7-13/h3-8,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 297.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 53013883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).