4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine

C13H17N3OS — CID 114137291

IUPAC4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C13H17N3OS/c1-3-10-5-6-11(18-10)9-15-13-14-8-7-12(16-13)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,16)
InChIKeyLLCQBVVPTIIHEL-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.11
Rot. Bonds6

About 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine (PubChem CID 114137291) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
PubChem CID114137291
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C13H17N3OS/c1-3-10-5-6-11(18-10)9-15-13-14-8-7-12(16-13)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,16)
InChIKeyLLCQBVVPTIIHEL-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine 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

N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 106014097
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 113244193
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine (CID 114137291) is 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2ccc(CC)s2)n1.
What is the InChIKey of 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is LLCQBVVPTIIHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-10-5-6-11(18-10)9-15-13-14-8-7-12(16-13)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 114137291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).