[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol

C11H12BrN3OS — CID 113387842

IUPAC[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
SMILESCN(Cc1cc(Br)cs1)c1ncc(CO)cn1
InChIInChI=1S/C11H12BrN3OS/c1-15(5-10-2-9(12)7-17-10)11-13-3-8(6-16)4-14-11/h2-4,7,16H,5-6H2,1H3
InChIKeyLMNCPQONJDHXIP-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.43
Rot. Bonds4

About [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol

[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol (PubChem CID 113387842) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
PubChem CID113387842
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
SMILESCN(Cc1cc(Br)cs1)c1ncc(CO)cn1
InChIInChI=1S/C11H12BrN3OS/c1-15(5-10-2-9(12)7-17-10)11-13-3-8(6-16)4-14-11/h2-4,7,16H,5-6H2,1H3
InChIKeyLMNCPQONJDHXIP-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183767
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
CID 83185537
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
CID 107373412
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553737
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755
methyl 4-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidine-5-carboxylate
CID 114214244
2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80806010
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
CID 55193368
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol (CID 113387842) is [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol is CN(Cc1cc(Br)cs1)c1ncc(CO)cn1.
What is the InChIKey of [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol?
The InChIKey is LMNCPQONJDHXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-15(5-10-2-9(12)7-17-10)11-13-3-8(6-16)4-14-11/h2-4,7,16H,5-6H2,1H3.
What are the key properties of [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol?
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol has a molecular weight of 314.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).