4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

C14H19BrN4S — CID 80837173

IUPAC4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cc(Br)cs2)c1C(C)C
InChIInChI=1S/C14H19BrN4S/c1-4-16-13-12(9(2)3)14(19-8-18-13)17-6-11-5-10(15)7-20-11/h5,7-9H,4,6H2,1-3H3,(H2,16,17,18,19)
InChIKeyMZHWJXLEXUYUCU-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.47
Rot. Bonds6

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

4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80837173) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80837173
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cc(Br)cs2)c1C(C)C
InChIInChI=1S/C14H19BrN4S/c1-4-16-13-12(9(2)3)14(19-8-18-13)17-6-11-5-10(15)7-20-11/h5,7-9H,4,6H2,1-3H3,(H2,16,17,18,19)
InChIKeyMZHWJXLEXUYUCU-UHFFFAOYSA-N
XLogP4.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-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-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580873
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
N-[(4-bromothiophen-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60965281
4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80748618
N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine
CID 47282308
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115910602
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111
6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80837173) is 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(NCc2cc(Br)cs2)c1C(C)C.
What is the InChIKey of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MZHWJXLEXUYUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-4-16-13-12(9(2)3)14(19-8-18-13)17-6-11-5-10(15)7-20-11/h5,7-9H,4,6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 355.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80837173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).