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

C13H18N4OS — CID 19152546

IUPAC6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCCc2cccs2)c1N
InChIInChI=1S/C13H18N4OS/c1-9(2)18-13-11(14)12(16-8-17-13)15-6-5-10-4-3-7-19-10/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17)
InChIKeySFLIIWWBVHQSQL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.56
Rot. Bonds6

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

6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (PubChem CID 19152546) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
PubChem CID19152546
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCCc2cccs2)c1N
InChIInChI=1S/C13H18N4OS/c1-9(2)18-13-11(14)12(16-8-17-13)15-6-5-10-4-3-7-19-10/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17)
InChIKeySFLIIWWBVHQSQL-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152667
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 22541555
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150253
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
6-(4-chloro-3-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19153260
4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19153971
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441
4-N-(2-ethoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154246

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (CID 19152546) is 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is CC(C)Oc1ncnc(NCCc2cccs2)c1N.
What is the InChIKey of 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is SFLIIWWBVHQSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(2)18-13-11(14)12(16-8-17-13)15-6-5-10-4-3-7-19-10/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19152546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).