2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine

C15H20N4S — CID 80960729

IUPAC2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
SMILESCCCC(Nc1cc(N)nc(C2CC2)n1)c1cccs1
InChIInChI=1S/C15H20N4S/c1-2-4-11(12-5-3-8-20-12)17-14-9-13(16)18-15(19-14)10-6-7-10/h3,5,8-11H,2,4,6-7H2,1H3,(H3,16,17,18,19)
InChIKeyBOPDHVHNJJVOKC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.95
Rot. Bonds6

About 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine (PubChem CID 80960729) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
PubChem CID80960729
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
SMILESCCCC(Nc1cc(N)nc(C2CC2)n1)c1cccs1
InChIInChI=1S/C15H20N4S/c1-2-4-11(12-5-3-8-20-12)17-14-9-13(16)18-15(19-14)10-6-7-10/h3,5,8-11H,2,4,6-7H2,1H3,(H3,16,17,18,19)
InChIKeyBOPDHVHNJJVOKC-UHFFFAOYSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine (CID 80960729) is 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine is CCCC(Nc1cc(N)nc(C2CC2)n1)c1cccs1.
What is the InChIKey of 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The InChIKey is BOPDHVHNJJVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-4-11(12-5-3-8-20-12)17-14-9-13(16)18-15(19-14)10-6-7-10/h3,5,8-11H,2,4,6-7H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80960729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).