2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine

C15H20N4S — CID 80983342

IUPAC2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NC(C)c2ccsc2)c1C
InChIInChI=1S/C15H20N4S/c1-9-13(16-3)18-15(11-4-5-11)19-14(9)17-10(2)12-6-7-20-8-12/h6-8,10-11H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyCUMJIBGBKPAZIT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.94
Rot. Bonds5

About 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80983342) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80983342
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NC(C)c2ccsc2)c1C
InChIInChI=1S/C15H20N4S/c1-9-13(16-3)18-15(11-4-5-11)19-14(9)17-10(2)12-6-7-20-8-12/h6-8,10-11H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyCUMJIBGBKPAZIT-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 80983342) is 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(NC(C)c2ccsc2)c1C.
What is the InChIKey of 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is CUMJIBGBKPAZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-9-13(16-3)18-15(11-4-5-11)19-14(9)17-10(2)12-6-7-20-8-12/h6-8,10-11H,4-5H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).