N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide

C15H18N4O3S — CID 66973746

IUPACN-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(Sc2c(OC)nc(N)nc2OC)c1
InChIInChI=1S/C15H18N4O3S/c1-4-11(20)17-9-6-5-7-10(8-9)23-12-13(21-2)18-15(16)19-14(12)22-3/h5-8H,4H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyJVUKEKSGMGFXPC-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.58
Rot. Bonds6

About N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide

N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide (PubChem CID 66973746) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide
PubChem CID66973746
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(Sc2c(OC)nc(N)nc2OC)c1
InChIInChI=1S/C15H18N4O3S/c1-4-11(20)17-9-6-5-7-10(8-9)23-12-13(21-2)18-15(16)19-14(12)22-3/h5-8H,4H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyJVUKEKSGMGFXPC-UHFFFAOYSA-N
XLogP2.58
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
The IUPAC name of N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide (CID 66973746) is N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide.
What is the SMILES notation for N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
The canonical SMILES for N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide is CCC(=O)Nc1cccc(Sc2c(OC)nc(N)nc2OC)c1.
What is the InChIKey of N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
The InChIKey is JVUKEKSGMGFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-4-11(20)17-9-6-5-7-10(8-9)23-12-13(21-2)18-15(16)19-14(12)22-3/h5-8H,4H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide has a molecular weight of 334.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide is sourced from PubChem (CID 66973746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).