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

C17H22FN5O — CID 56738717

IUPAC[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESNc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)nc(N)n1
InChIInChI=1S/C17H22FN5O/c18-13-5-2-1-4-12(13)9-17(11-24)6-3-7-23(10-17)15-8-14(19)21-16(20)22-15/h1-2,4-5,8,24H,3,6-7,9-11H2,(H4,19,20,21,22)
InChIKeyGYQOEBAYAATTRI-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.60
Rot. Bonds4

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

[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 56738717) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID56738717
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC Name[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESNc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)nc(N)n1
InChIInChI=1S/C17H22FN5O/c18-13-5-2-1-4-12(13)9-17(11-24)6-3-7-23(10-17)15-8-14(19)21-16(20)22-15/h1-2,4-5,8,24H,3,6-7,9-11H2,(H4,19,20,21,22)
InChIKeyGYQOEBAYAATTRI-UHFFFAOYSA-N
XLogP1.60
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.60
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-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 56738717) is [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is Nc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)nc(N)n1.
What is the InChIKey of [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is GYQOEBAYAATTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c18-13-5-2-1-4-12(13)9-17(11-24)6-3-7-23(10-17)15-8-14(19)21-16(20)22-15/h1-2,4-5,8,24H,3,6-7,9-11H2,(H4,19,20,21,22).
What are the key properties of [1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 331.39 g/mol, XLogP of 1.60, 4 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-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56738717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).