N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine

C9H8BrN3S — CID 130670486

IUPACN-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine
SMILESBrc1sccc1CNc1ncccn1
InChIInChI=1S/C9H8BrN3S/c10-8-7(2-5-14-8)6-13-9-11-3-1-4-12-9/h1-5H,6H2,(H,11,12,13)
InChIKeyPLHXYPKHXZVSQO-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.91
Rot. Bonds3

About N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine

N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine (PubChem CID 130670486) has the molecular formula C9H8BrN3S and a molecular weight of 270.15 g/mol. Its IUPAC name is N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine
PubChem CID130670486
Molecular FormulaC9H8BrN3S
Molecular Weight270.15 g/mol
Exact Mass268.96
IUPAC NameN-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine
SMILESBrc1sccc1CNc1ncccn1
InChIInChI=1S/C9H8BrN3S/c10-8-7(2-5-14-8)6-13-9-11-3-1-4-12-9/h1-5H,6H2,(H,11,12,13)
InChIKeyPLHXYPKHXZVSQO-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine 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

N-[(2-bromothiophen-3-yl)methyl]-2-methylpropan-2-amine
CID 121367771
N-[(2-bromothiophen-3-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 131165776
2-bromo-3-(bromomethyl)thiophene
CID 2735537
N-[(2-methylthiophen-3-yl)methyl]pyridin-2-amine
CID 130671938
N-[(2-bromothiophen-3-yl)methyl]butan-1-amine
CID 102596678
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
1-[(2-bromothiophen-3-yl)methyl]-3-propan-2-ylurea
CID 130767255
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 131169709
N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
CID 131025793

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine (CID 130670486) is N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine is Brc1sccc1CNc1ncccn1.
What is the InChIKey of N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is PLHXYPKHXZVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c10-8-7(2-5-14-8)6-13-9-11-3-1-4-12-9/h1-5H,6H2,(H,11,12,13).
What are the key properties of N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine?
N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 270.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 130670486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).