6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione

C14H16N4O4 — CID 19699164

IUPAC6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione
SMILESCOc1ccc(CCCn2c(N)c(N=O)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N4O4/c1-22-10-6-4-9(5-7-10)3-2-8-18-12(15)11(17-21)13(19)16-14(18)20/h4-7H,2-3,8,15H2,1H3,(H,16,19,20)
InChIKeyPCMIVIHGNCLXRW-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.16
Rot. Bonds6

About 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione

6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione (PubChem CID 19699164) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione
PubChem CID19699164
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione
SMILESCOc1ccc(CCCn2c(N)c(N=O)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N4O4/c1-22-10-6-4-9(5-7-10)3-2-8-18-12(15)11(17-21)13(19)16-14(18)20/h4-7H,2-3,8,15H2,1H3,(H,16,19,20)
InChIKeyPCMIVIHGNCLXRW-UHFFFAOYSA-N
XLogP1.16
TPSA119.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
CID 10331856
6-amino-1-methyl-5-nitroso-3-(3-phenylpropyl)pyrimidine-2,4-dione
CID 10913196
5-(2-bromoethynyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 58333129
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 34651789
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-methoxyphenyl)propanamide
CID 26069603
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 8801097
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide
CID 55623438
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55477513
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741
4-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 90979962
1-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810817

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione (CID 19699164) is 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione is COc1ccc(CCCn2c(N)c(N=O)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione?
The InChIKey is PCMIVIHGNCLXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-22-10-6-4-9(5-7-10)3-2-8-18-12(15)11(17-21)13(19)16-14(18)20/h4-7H,2-3,8,15H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione?
6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione has a molecular weight of 304.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(4-methoxyphenyl)propyl]-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 19699164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).