[1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C18H24N4O2 — CID 117089891

IUPAC[1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCCC2CO)nc1NCCOc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-14-12-20-18(22-10-5-6-15(22)13-23)21-17(14)19-9-11-24-16-7-3-2-4-8-16/h2-4,7-8,12,15,23H,5-6,9-11,13H2,1H3,(H,19,20,21)
InChIKeyJYLWUTXIRNPIMH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.24
Rot. Bonds7

About [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 117089891) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID117089891
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCCC2CO)nc1NCCOc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-14-12-20-18(22-10-5-6-15(22)13-23)21-17(14)19-9-11-24-16-7-3-2-4-8-16/h2-4,7-8,12,15,23H,5-6,9-11,13H2,1H3,(H,19,20,21)
InChIKeyJYLWUTXIRNPIMH-UHFFFAOYSA-N
XLogP2.24
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 117089891) is [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is Cc1cnc(N2CCCC2CO)nc1NCCOc1ccccc1.
What is the InChIKey of [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is JYLWUTXIRNPIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-12-20-18(22-10-5-6-15(22)13-23)21-17(14)19-9-11-24-16-7-3-2-4-8-16/h2-4,7-8,12,15,23H,5-6,9-11,13H2,1H3,(H,19,20,21).
What are the key properties of [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-methyl-4-(2-phenoxyethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117089891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).