5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine

C18H23FN4O — CID 137342628

IUPAC5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCOc1nc(NC2CCN(CCc3ccccc3)CC2)ncc1F
InChIInChI=1S/C18H23FN4O/c1-24-17-16(19)13-20-18(22-17)21-15-8-11-23(12-9-15)10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,20,21,22)
InChIKeyBBSMBFRQLQGPLN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.74
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 137342628) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID137342628
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCOc1nc(NC2CCN(CCc3ccccc3)CC2)ncc1F
InChIInChI=1S/C18H23FN4O/c1-24-17-16(19)13-20-18(22-17)21-15-8-11-23(12-9-15)10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,20,21,22)
InChIKeyBBSMBFRQLQGPLN-UHFFFAOYSA-N
XLogP2.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine (CID 137342628) is 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine is COc1nc(NC2CCN(CCc3ccccc3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is BBSMBFRQLQGPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-24-17-16(19)13-20-18(22-17)21-15-8-11-23(12-9-15)10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,20,21,22).
What are the key properties of 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 330.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 137342628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).