2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C16H16FN5O — CID 20604260

IUPAC2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc(F)cc2)n1
InChIInChI=1S/C16H16FN5O/c1-10-7-14(19-15-8-11(2)21-22-15)20-16(18-10)9-23-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXDPLQGVVHWLMSV-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.28
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 20604260) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID20604260
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc(F)cc2)n1
InChIInChI=1S/C16H16FN5O/c1-10-7-14(19-15-8-11(2)21-22-15)20-16(18-10)9-23-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXDPLQGVVHWLMSV-UHFFFAOYSA-N
XLogP3.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 20604260) is 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is XDPLQGVVHWLMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10-7-14(19-15-8-11(2)21-22-15)20-16(18-10)9-23-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 313.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 20604260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).