1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol

C15H17N3O2 — CID 74239468

IUPAC1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOCc1ccc(-c2nccc(N3CCC(O)C3)n2)cc1
InChIInChI=1S/C15H17N3O2/c19-10-11-1-3-12(4-2-11)15-16-7-5-14(17-15)18-8-6-13(20)9-18/h1-5,7,13,19-20H,6,8-10H2
InChIKeyMOZMHYNGXPLTSZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.21
Rot. Bonds3

About 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 74239468) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID74239468
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOCc1ccc(-c2nccc(N3CCC(O)C3)n2)cc1
InChIInChI=1S/C15H17N3O2/c19-10-11-1-3-12(4-2-11)15-16-7-5-14(17-15)18-8-6-13(20)9-18/h1-5,7,13,19-20H,6,8-10H2
InChIKeyMOZMHYNGXPLTSZ-UHFFFAOYSA-N
XLogP1.21
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 74239468) is 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol is OCc1ccc(-c2nccc(N3CCC(O)C3)n2)cc1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MOZMHYNGXPLTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-10-11-1-3-12(4-2-11)15-16-7-5-14(17-15)18-8-6-13(20)9-18/h1-5,7,13,19-20H,6,8-10H2.
What are the key properties of 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 271.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 74239468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).