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

C18H25N5O2 — CID 56760178

IUPAC[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESNc1cc(N2CCC(CO)(CCOc3ccccc3)CC2)nc(N)n1
InChIInChI=1S/C18H25N5O2/c19-15-12-16(22-17(20)21-15)23-9-6-18(13-24,7-10-23)8-11-25-14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2,(H4,19,20,21,22)
InChIKeyAMADVCJIHVQRJI-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.69
Rot. Bonds6

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

[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol (PubChem CID 56760178) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
PubChem CID56760178
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESNc1cc(N2CCC(CO)(CCOc3ccccc3)CC2)nc(N)n1
InChIInChI=1S/C18H25N5O2/c19-15-12-16(22-17(20)21-15)23-9-6-18(13-24,7-10-23)8-11-25-14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2,(H4,19,20,21,22)
InChIKeyAMADVCJIHVQRJI-UHFFFAOYSA-N
XLogP1.69
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol (CID 56760178) is [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol is Nc1cc(N2CCC(CO)(CCOc3ccccc3)CC2)nc(N)n1.
What is the InChIKey of [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The InChIKey is AMADVCJIHVQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c19-15-12-16(22-17(20)21-15)23-9-6-18(13-24,7-10-23)8-11-25-14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2,(H4,19,20,21,22).
What are the key properties of [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol has a molecular weight of 343.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56760178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).