N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine

C12H13BrClN3S — CID 63729831

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C12H13BrClN3S/c1-7-11(14)15-8(2)16-12(7)17(3)5-10-4-9(13)6-18-10/h4,6H,5H2,1-3H3
InChIKeyVUIBSZACWDBNCH-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.21
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 63729831) has the molecular formula C12H13BrClN3S and a molecular weight of 346.68 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine
PubChem CID63729831
Molecular FormulaC12H13BrClN3S
Molecular Weight346.68 g/mol
Exact Mass344.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C12H13BrClN3S/c1-7-11(14)15-8(2)16-12(7)17(3)5-10-4-9(13)6-18-10/h4,6H,5H2,1-3H3
InChIKeyVUIBSZACWDBNCH-UHFFFAOYSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80971700
N-[(4-bromothiophen-2-yl)methyl]-3-(chloromethyl)-N-methylquinolin-2-amine
CID 63541779
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine
CID 61362401
N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63730048
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 62101199
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
CID 55193368
2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80688292
3-[(4-bromothiophen-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703207
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
CID 107373412
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine (CID 63729831) is N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)Cc2cc(Br)cs2)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is VUIBSZACWDBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3S/c1-7-11(14)15-8(2)16-12(7)17(3)5-10-4-9(13)6-18-10/h4,6H,5H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 346.68 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 63729831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).