3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione

C15H19N3O3 — CID 106933847

IUPAC3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(Cc2ccc(CO)cc2)c1=O
InChIInChI=1S/C15H19N3O3/c16-7-1-8-18-14(20)6-9-17(15(18)21)10-12-2-4-13(11-19)5-3-12/h2-6,9,19H,1,7-8,10-11,16H2
InChIKeyRUZAAUSDYOKGAW-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.10
Rot. Bonds6

About 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione

3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 106933847) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID106933847
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(Cc2ccc(CO)cc2)c1=O
InChIInChI=1S/C15H19N3O3/c16-7-1-8-18-14(20)6-9-17(15(18)21)10-12-2-4-13(11-19)5-3-12/h2-6,9,19H,1,7-8,10-11,16H2
InChIKeyRUZAAUSDYOKGAW-UHFFFAOYSA-N
XLogP-0.10
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methoxyzolpidem
CID 154699860
1-[[4-(4-Hydroxybutyl)phenyl]methyl]-5-methyl-pyrimidine-2,4-dione
CID 11694923
1-(4-(Hydroxymethyl)benzyl)pyridin-2(1H)-one
CID 90280157
4(1H)-Pyrimidinone, 2,3-dihydro-2-hydroxy-2-phenyl-
CID 111436
1-[3-(2,2-dimethylpropyl)-4-[2-fluoro-4-(hydroxymethyl)phenyl]-1-methyl-2H-imidazol-2-yl]pyridin-2-one
CID 89735222
6-[[(S)-hydroxy(phenyl)methyl]amino]-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 117794478
1-[[2-Fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212625
5-Fluoro-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 121364677
(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide
CID 171714570
1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide
CID 171714571
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108904514
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108906376

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 106933847) is 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione is NCCCn1c(=O)ccn(Cc2ccc(CO)cc2)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is RUZAAUSDYOKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-7-1-8-18-14(20)6-9-17(15(18)21)10-12-2-4-13(11-19)5-3-12/h2-6,9,19H,1,7-8,10-11,16H2.
What are the key properties of 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).