[1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

C19H27N5O — CID 56759545

IUPAC[1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESNc1cc(N2CCCC(CO)(CCCc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C19H27N5O/c20-16-12-17(23-18(21)22-16)24-11-5-10-19(13-24,14-25)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,25H,4-5,8-11,13-14H2,(H4,20,21,22,23)
InChIKeyLZETYUWTRRRBAK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.24
Rot. Bonds6

About [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

[1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 56759545) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID56759545
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESNc1cc(N2CCCC(CO)(CCCc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C19H27N5O/c20-16-12-17(23-18(21)22-16)24-11-5-10-19(13-24,14-25)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,25H,4-5,8-11,13-14H2,(H4,20,21,22,23)
InChIKeyLZETYUWTRRRBAK-UHFFFAOYSA-N
XLogP2.24
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (CID 56759545) is [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is Nc1cc(N2CCCC(CO)(CCCc3ccccc3)C2)nc(N)n1.
What is the InChIKey of [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is LZETYUWTRRRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c20-16-12-17(23-18(21)22-16)24-11-5-10-19(13-24,14-25)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,25H,4-5,8-11,13-14H2,(H4,20,21,22,23).
What are the key properties of [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
[1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 341.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).