5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine

C19H19FN6O — CID 59744054

IUPAC5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(-c4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C19H19FN6O/c20-15-11-22-19(25-18(15)21)27-14-6-8-26(9-7-14)17-10-16(23-12-24-17)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25)
InChIKeyGUASFRARTWAMBX-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.70
Rot. Bonds4

About 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine

5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 59744054) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID59744054
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(-c4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C19H19FN6O/c20-15-11-22-19(25-18(15)21)27-14-6-8-26(9-7-14)17-10-16(23-12-24-17)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25)
InChIKeyGUASFRARTWAMBX-UHFFFAOYSA-N
XLogP2.70
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
CID 46879755
6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 59744061
2-[6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidin-4-yl]oxybenzonitrile
CID 46879753
2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
CID 25026089
2-[2-[1-[6-(1-benzothiophen-2-yl)pyrimidin-4-yl]piperidin-4-yl]ethoxy]-5-fluoropyrimidin-4-amine
CID 46879632
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
2-[6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 45375949
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine (CID 59744054) is 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine is Nc1nc(OC2CCN(c3cc(-c4ccccc4)ncn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is GUASFRARTWAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-11-22-19(25-18(15)21)27-14-6-8-26(9-7-14)17-10-16(23-12-24-17)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25).
What are the key properties of 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 366.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 59744054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).