4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine

C16H15FN4O — CID 68649169

IUPAC4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine
SMILESCOC1(c2ccncc2)C=NC(N)=NC1c1cccc(F)c1
InChIInChI=1S/C16H15FN4O/c1-22-16(12-5-7-19-8-6-12)10-20-15(18)21-14(16)11-3-2-4-13(17)9-11/h2-10,14H,1H3,(H2,18,21)
InChIKeyOZTNVKSRNGMSAZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.20
Rot. Bonds3

About 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine

4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine (PubChem CID 68649169) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine
PubChem CID68649169
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine
SMILESCOC1(c2ccncc2)C=NC(N)=NC1c1cccc(F)c1
InChIInChI=1S/C16H15FN4O/c1-22-16(12-5-7-19-8-6-12)10-20-15(18)21-14(16)11-3-2-4-13(17)9-11/h2-10,14H,1H3,(H2,18,21)
InChIKeyOZTNVKSRNGMSAZ-UHFFFAOYSA-N
XLogP2.20
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine (CID 68649169) is 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine is COC1(c2ccncc2)C=NC(N)=NC1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine?
The InChIKey is OZTNVKSRNGMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-22-16(12-5-7-19-8-6-12)10-20-15(18)21-14(16)11-3-2-4-13(17)9-11/h2-10,14H,1H3,(H2,18,21).
What are the key properties of 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine?
4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine has a molecular weight of 298.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-methoxy-5-pyridin-4-yl-4H-pyrimidin-2-amine is sourced from PubChem (CID 68649169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).