5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

C10H10BrClN4S — CID 80799071

IUPAC5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccc(Cl)s1)c1nc(N)ncc1Br
InChIInChI=1S/C10H10BrClN4S/c1-16(5-6-2-3-8(12)17-6)9-7(11)4-14-10(13)15-9/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyOLLOWXXWTZINGT-UHFFFAOYSA-N
MW333.64 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80799071) has the molecular formula C10H10BrClN4S and a molecular weight of 333.64 g/mol. Its IUPAC name is 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80799071
Molecular FormulaC10H10BrClN4S
Molecular Weight333.64 g/mol
Exact Mass331.95
IUPAC Name5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccc(Cl)s1)c1nc(N)ncc1Br
InChIInChI=1S/C10H10BrClN4S/c1-16(5-6-2-3-8(12)17-6)9-7(11)4-14-10(13)15-9/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyOLLOWXXWTZINGT-UHFFFAOYSA-N
XLogP3.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
5-bromo-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794231
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 62000773
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 80799071) is 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is CN(Cc1ccc(Cl)s1)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OLLOWXXWTZINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4S/c1-16(5-6-2-3-8(12)17-6)9-7(11)4-14-10(13)15-9/h2-4H,5H2,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 333.64 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).