3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid

C15H17N3O3 — CID 67224557

IUPAC3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid
SMILESO=C(O)NCCCc1cnc(-c2cccc(CO)c2)nc1
InChIInChI=1S/C15H17N3O3/c19-10-11-3-1-5-13(7-11)14-17-8-12(9-18-14)4-2-6-16-15(20)21/h1,3,5,7-9,16,19H,2,4,6,10H2,(H,20,21)
InChIKeyYSLNUOLYYFTBPT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.84
Rot. Bonds6

About 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid

3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid (PubChem CID 67224557) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid.

Molecular Properties

Compound Name3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid
PubChem CID67224557
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid
SMILESO=C(O)NCCCc1cnc(-c2cccc(CO)c2)nc1
InChIInChI=1S/C15H17N3O3/c19-10-11-3-1-5-13(7-11)14-17-8-12(9-18-14)4-2-6-16-15(20)21/h1,3,5,7-9,16,19H,2,4,6,10H2,(H,20,21)
InChIKeyYSLNUOLYYFTBPT-UHFFFAOYSA-N
XLogP1.84
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propyl]carbamate
CID 58289776
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
CID 138678237
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375
2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
CID 155915416
3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
3-[3-(trifluoromethylsulfonyloxy)phenyl]propylcarbamic acid
CID 91117136
[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol
CID 71028488
3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
CID 112754962
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
8-phenyloctylcarbamic acid
CID 90271205
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322383

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid?
The IUPAC name of 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid (CID 67224557) is 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid.
What is the SMILES notation for 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid?
The canonical SMILES for 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid is O=C(O)NCCCc1cnc(-c2cccc(CO)c2)nc1.
What is the InChIKey of 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid?
The InChIKey is YSLNUOLYYFTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-11-3-1-5-13(7-11)14-17-8-12(9-18-14)4-2-6-16-15(20)21/h1,3,5,7-9,16,19H,2,4,6,10H2,(H,20,21).
What are the key properties of 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid?
3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid has a molecular weight of 287.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid is sourced from PubChem (CID 67224557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).