6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine

C20H18N4OS — CID 22541555

IUPAC6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCc2cccs2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C20H18N4OS/c21-18-19(22-11-10-15-7-4-12-26-15)23-13-24-20(18)25-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11,21H2,(H,22,23,24)
InChIKeyRHBXEWKPVSCWDX-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.72
Rot. Bonds6

About 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine

6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (PubChem CID 22541555) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
PubChem CID22541555
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCc2cccs2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C20H18N4OS/c21-18-19(22-11-10-15-7-4-12-26-15)23-13-24-20(18)25-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11,21H2,(H,22,23,24)
InChIKeyRHBXEWKPVSCWDX-UHFFFAOYSA-N
XLogP4.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine 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-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152667
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-N-(2-ethoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154246
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
6-(4-chloro-3-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19153260
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
4-N-methyl-4-N-phenyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19144572
4-N-(4-methoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19149188
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150253

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (CID 22541555) is 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is Nc1c(NCCc2cccs2)ncnc1Oc1cccc2ccccc12.
What is the InChIKey of 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is RHBXEWKPVSCWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-18-19(22-11-10-15-7-4-12-26-15)23-13-24-20(18)25-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11,21H2,(H,22,23,24).
What are the key properties of 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 362.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22541555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).