6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine

C19H19FN4O — CID 73213572

IUPAC6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
SMILESCOc1ccccc1[C@H](C)CNc1cc(-c2ccnc(F)c2)ncn1
InChIInChI=1S/C19H19FN4O/c1-13(15-5-3-4-6-17(15)25-2)11-22-19-10-16(23-12-24-19)14-7-8-21-18(20)9-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)/t13-/m1/s1
InChIKeyAZVDQWOEEHYUOK-CYBMUJFWSA-N
MW338.39 g/mol
LogP3.90
Rot. Bonds6

About 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine

6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine (PubChem CID 73213572) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
PubChem CID73213572
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
SMILESCOc1ccccc1[C@H](C)CNc1cc(-c2ccnc(F)c2)ncn1
InChIInChI=1S/C19H19FN4O/c1-13(15-5-3-4-6-17(15)25-2)11-22-19-10-16(23-12-24-19)14-7-8-21-18(20)9-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)/t13-/m1/s1
InChIKeyAZVDQWOEEHYUOK-CYBMUJFWSA-N
XLogP3.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoro-4-pyridinyl)-N-[3-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
CID 123594938
N'-[4-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 118983343
N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine
CID 123375678
N'-[5-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-3-pyridinyl]-N-methylethane-1,2-diamine
CID 121440702
2-[[5-[6-[2-(2-methoxyphenyl)propylamino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,3-diol
CID 123881772
N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 73213576
2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
CID 144832012
(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 134288956
N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
CID 123421438
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
2-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]acetonitrile
CID 123442941
8-[(2S)-1-[[6-(5,6-dimethoxy-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide
CID 118982861

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine (CID 73213572) is 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine is COc1ccccc1[C@H](C)CNc1cc(-c2ccnc(F)c2)ncn1.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
The InChIKey is AZVDQWOEEHYUOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13(15-5-3-4-6-17(15)25-2)11-22-19-10-16(23-12-24-19)14-7-8-21-18(20)9-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)/t13-/m1/s1.
What are the key properties of 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine has a molecular weight of 338.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 73213572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).