6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C14H17N3O5 — CID 154379837

IUPAC6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cc(Cc2c(N)[nH]c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H17N3O5/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)16-14(19)17-13(8)18/h5-6H,4H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyDLYNGZIXSWXCQT-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.26
Rot. Bonds5

About 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 154379837) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID154379837
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cc(Cc2c(N)[nH]c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H17N3O5/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)16-14(19)17-13(8)18/h5-6H,4H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyDLYNGZIXSWXCQT-UHFFFAOYSA-N
XLogP0.26
TPSA119.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
4-amino-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 44513650
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 91276265
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene
CID 15638734
5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 22707040
azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
CID 44660539
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
CID 3508793
6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 154379837) is 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1cc(Cc2c(N)[nH]c(=O)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DLYNGZIXSWXCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)16-14(19)17-13(8)18/h5-6H,4H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 307.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154379837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).