4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine

C12H13BrN4S — CID 80959171

IUPAC4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccc(Br)s2)nc(C2CC2)n1
InChIInChI=1S/C12H13BrN4S/c13-9-4-3-8(18-9)6-15-11-5-10(14)16-12(17-11)7-1-2-7/h3-5,7H,1-2,6H2,(H3,14,15,16,17)
InChIKeyOWNGBTBSAUSMGC-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.37
Rot. Bonds4

About 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine

4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine (PubChem CID 80959171) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
PubChem CID80959171
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccc(Br)s2)nc(C2CC2)n1
InChIInChI=1S/C12H13BrN4S/c13-9-4-3-8(18-9)6-15-11-5-10(14)16-12(17-11)7-1-2-7/h3-5,7H,1-2,6H2,(H3,14,15,16,17)
InChIKeyOWNGBTBSAUSMGC-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80960032
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
6-(5-bromothiophen-2-yl)-2-cyclopropylpyrimidin-4-amine
CID 122238983
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
2-cyclopropyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80967847
4-N-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565194
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 91795318
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
6-(3-aminocyclobutyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901707
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine (CID 80959171) is 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine is Nc1cc(NCc2ccc(Br)s2)nc(C2CC2)n1.
What is the InChIKey of 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine?
The InChIKey is OWNGBTBSAUSMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c13-9-4-3-8(18-9)6-15-11-5-10(14)16-12(17-11)7-1-2-7/h3-5,7H,1-2,6H2,(H3,14,15,16,17).
What are the key properties of 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine?
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine has a molecular weight of 325.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).