6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione

C14H17N3O4 — CID 686786

IUPAC6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C14H17N3O4/c1-20-10-4-3-9(7-11(10)21-2)5-6-17-12(15)8-13(18)16-14(17)19/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,19)
InChIKeyIQRPFYUBJZSLRA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.38
Rot. Bonds5

About 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione

6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 686786) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione
PubChem CID686786
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C14H17N3O4/c1-20-10-4-3-9(7-11(10)21-2)5-6-17-12(15)8-13(18)16-14(17)19/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,19)
InChIKeyIQRPFYUBJZSLRA-UHFFFAOYSA-N
XLogP0.38
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Rubemamine
CID 1042026
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
CID 1042025
N-(2-(3,4-Dimethoxyphenyl)ethyl)urea
CID 95288
n-[2-(3,4-Dimethoxyphenyl)ethyl]propanamide
CID 234679
N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 234680
1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-pyrrole-2,5-dione
CID 282938
(2E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 707185
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 795486
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 2969145
6-Amino-1-benzyl-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-1H-pyrimidine-2,4-dione
CID 2388927
N-[2-(3,4-dimethoxyphenyl)ethyl]formamide
CID 84337

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione (CID 686786) is 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione is COc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is IQRPFYUBJZSLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-10-4-3-9(7-11(10)21-2)5-6-17-12(15)8-13(18)16-14(17)19/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione?
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 686786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).