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

C17H18N4OS — CID 19152667

IUPAC6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Oc2ncnc(NCCc3cccs3)c2N)cc1
InChIInChI=1S/C17H18N4OS/c1-12-4-6-13(7-5-12)22-17-15(18)16(20-11-21-17)19-9-8-14-3-2-10-23-14/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKeyPTBTZKJHDCUZTG-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.88
Rot. Bonds6

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

6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (PubChem CID 19152667) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
PubChem CID19152667
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Oc2ncnc(NCCc3cccs3)c2N)cc1
InChIInChI=1S/C17H18N4OS/c1-12-4-6-13(7-5-12)22-17-15(18)16(20-11-21-17)19-9-8-14-3-2-10-23-14/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKeyPTBTZKJHDCUZTG-UHFFFAOYSA-N
XLogP3.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloro-3-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19153260
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 22541555
6-(4-methylphenyl)sulfanyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19149974
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-N-(4-methoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19149188
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
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-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
6-(3,4-dimethylphenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 22539115
4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19153971

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (CID 19152667) is 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is Cc1ccc(Oc2ncnc(NCCc3cccs3)c2N)cc1.
What is the InChIKey of 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is PTBTZKJHDCUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-4-6-13(7-5-12)22-17-15(18)16(20-11-21-17)19-9-8-14-3-2-10-23-14/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21).
What are the key properties of 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 326.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19152667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).