2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

C15H20N4S — CID 80985188

IUPAC2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NC(C)Cc1cccs1
InChIInChI=1S/C15H20N4S/c1-9(8-12-4-3-7-20-12)17-14-10(2)13(16)18-15(19-14)11-5-6-11/h3-4,7,9,11H,5-6,8H2,1-2H3,(H3,16,17,18,19)
InChIKeyZEIJGLHFIRBWLO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.35
Rot. Bonds5

About 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80985188) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80985188
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NC(C)Cc1cccs1
InChIInChI=1S/C15H20N4S/c1-9(8-12-4-3-7-20-12)17-14-10(2)13(16)18-15(19-14)11-5-6-11/h3-4,7,9,11H,5-6,8H2,1-2H3,(H3,16,17,18,19)
InChIKeyZEIJGLHFIRBWLO-UHFFFAOYSA-N
XLogP3.35
TPSA63.83 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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80985188) is 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1NC(C)Cc1cccs1.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is ZEIJGLHFIRBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-9(8-12-4-3-7-20-12)17-14-10(2)13(16)18-15(19-14)11-5-6-11/h3-4,7,9,11H,5-6,8H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80985188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).