6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine

C19H25FN6O — CID 70964169

IUPAC6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(OCCC2CC2C2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C19H25FN6O/c1-12-24-17(21)9-18(25-12)27-7-4-14-8-16(14)13-2-5-26(6-3-13)19-22-10-15(20)11-23-19/h9-11,13-14,16H,2-8H2,1H3,(H2,21,24,25)
InChIKeyHJFBSXGQJVCOKT-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.62
Rot. Bonds6

About 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine

6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine (PubChem CID 70964169) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine
PubChem CID70964169
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(OCCC2CC2C2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C19H25FN6O/c1-12-24-17(21)9-18(25-12)27-7-4-14-8-16(14)13-2-5-26(6-3-13)19-22-10-15(20)11-23-19/h9-11,13-14,16H,2-8H2,1H3,(H2,21,24,25)
InChIKeyHJFBSXGQJVCOKT-UHFFFAOYSA-N
XLogP2.62
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine (CID 70964169) is 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine is Cc1nc(N)cc(OCCC2CC2C2CCN(c3ncc(F)cn3)CC2)n1.
What is the InChIKey of 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine?
The InChIKey is HJFBSXGQJVCOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-12-24-17(21)9-18(25-12)27-7-4-14-8-16(14)13-2-5-26(6-3-13)19-22-10-15(20)11-23-19/h9-11,13-14,16H,2-8H2,1H3,(H2,21,24,25).
What are the key properties of 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine?
6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine has a molecular weight of 372.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 70964169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).