6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione

C14H18N4O3 — CID 63312031

IUPAC6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2cccc(CO)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3/c1-2-18-12(15)11(13(20)17-14(18)21)16-7-9-4-3-5-10(6-9)8-19/h3-6,16,19H,2,7-8,15H2,1H3,(H,17,20,21)
InChIKeyJQGAVTVSAQSBEP-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.24
Rot. Bonds5

About 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione (PubChem CID 63312031) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
PubChem CID63312031
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2cccc(CO)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3/c1-2-18-12(15)11(13(20)17-14(18)21)16-7-9-4-3-5-10(6-9)8-19/h3-6,16,19H,2,7-8,15H2,1H3,(H,17,20,21)
InChIKeyJQGAVTVSAQSBEP-UHFFFAOYSA-N
XLogP0.24
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(Hydroxymethyl)phenyl]methyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 72117486
6-Amino-1-benzyl-5-((3-hydroxypropyl)amino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2386139
US20240262804, Example 271
CID 172430397
US20240262804, Example 342
CID 172430462
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide
CID 109620518
6-Amino-5-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-1-ethylpyrimidine-2,4-dione
CID 110923162
6-Amino-5-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-1-ethylpyrimidine-2,4-dione
CID 110923164
6-Amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione
CID 110923166
1,1-Diethyl-3-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]urea
CID 112413986
1-[[4-Fluoro-3-(hydroxymethyl)phenyl]methyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 112417918
1-[[4-Fluoro-3-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 112417919
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 112422010

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione (CID 63312031) is 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCc2cccc(CO)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione?
The InChIKey is JQGAVTVSAQSBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-18-12(15)11(13(20)17-14(18)21)16-7-9-4-3-5-10(6-9)8-19/h3-6,16,19H,2,7-8,15H2,1H3,(H,17,20,21).
What are the key properties of 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 63312031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).