N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine

C16H13FN4O — CID 170970463

IUPACN-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cn1
InChIInChI=1S/C16H13FN4O/c1-22-15-6-5-11(10-19-15)14-7-8-18-16(21-14)20-13-4-2-3-12(17)9-13/h2-10H,1H3,(H,18,20,21)
InChIKeyPBWUTBXJMSMSAZ-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.43
Rot. Bonds4

About N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine

N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine (PubChem CID 170970463) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
PubChem CID170970463
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cn1
InChIInChI=1S/C16H13FN4O/c1-22-15-6-5-11(10-19-15)14-7-8-18-16(21-14)20-13-4-2-3-12(17)9-13/h2-10H,1H3,(H,18,20,21)
InChIKeyPBWUTBXJMSMSAZ-UHFFFAOYSA-N
XLogP3.43
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine
CID 10161321
4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine
CID 67388887
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 170970741
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 75413994
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
4-(2-methoxy-4-pyridinyl)-N-pyridin-4-ylpyrimidin-2-amine
CID 170970558
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
2-N-(3-fluorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895437

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine (CID 170970463) is N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine is COc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is PBWUTBXJMSMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-22-15-6-5-11(10-19-15)14-7-8-18-16(21-14)20-13-4-2-3-12(17)9-13/h2-10H,1H3,(H,18,20,21).
What are the key properties of N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine?
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 296.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 170970463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).