5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine

C11H10FN3O — CID 121221051

IUPAC5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
SMILESCOc1nc(Nc2ccccc2)ncc1F
InChIInChI=1S/C11H10FN3O/c1-16-10-9(12)7-13-11(15-10)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyYTLVUSQQLSWTNH-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.37
Rot. Bonds3

About 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine

5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine (PubChem CID 121221051) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
PubChem CID121221051
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
SMILESCOc1nc(Nc2ccccc2)ncc1F
InChIInChI=1S/C11H10FN3O/c1-16-10-9(12)7-13-11(15-10)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyYTLVUSQQLSWTNH-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine
CID 135097043
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
CID 66764541
2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 89188920
5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
CID 137342628
5-fluoro-4-methoxy-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidin-2-amine
CID 58456162
N-[(4-tert-butylphenyl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 137336755
(2S)-2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-3-phenylmethoxypropanoic acid
CID 137337726
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 172680342
5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
CID 162748564

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine (CID 121221051) is 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine is COc1nc(Nc2ccccc2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine?
The InChIKey is YTLVUSQQLSWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-16-10-9(12)7-13-11(15-10)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine?
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine has a molecular weight of 219.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 121221051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).