N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine

C9H6BrClFN3S — CID 79076406

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccc(Br)s1
InChIInChI=1S/C9H6BrClFN3S/c10-7-2-1-5(16-7)3-13-8-6(12)4-14-9(11)15-8/h1-2,4H,3H2,(H,13,14,15)
InChIKeyAKJSFQRWXHEISA-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.71
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine

N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 79076406) has the molecular formula C9H6BrClFN3S and a molecular weight of 322.59 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID79076406
Molecular FormulaC9H6BrClFN3S
Molecular Weight322.59 g/mol
Exact Mass320.91
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccc(Br)s1
InChIInChI=1S/C9H6BrClFN3S/c10-7-2-1-5(16-7)3-13-8-6(12)4-14-9(11)15-8/h1-2,4H,3H2,(H,13,14,15)
InChIKeyAKJSFQRWXHEISA-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-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

5-(5-Bromo-2-thienyl)pyrimidine
CID 1211676
N-[(5-bromothiophen-2-yl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 47054817
N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 1445614
2-(5-Bromothiophen-2-yl)pyrimidin-5-amine
CID 43142274
2-{4-[(5-Bromo-2-thienyl)methyl]-1-piperazinyl}pyrimidine
CID 753957
5-Bromo-2-chloro-4-(thiophen-2-yl)pyrimidine
CID 57428871
N-[2-(2-thienyl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72898770
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[2-(2-thienyl)ethyl]pyrimidine-2,4-diamine
CID 50953910
5-fluoro-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 57819351
4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 59468410
5-Fluoro-2-thiophen-2-ylpyrimidin-4-amine
CID 67266721
2-(5-Fluorothiophen-2-yl)pyrimidine
CID 135122318

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine (CID 79076406) is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is AKJSFQRWXHEISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3S/c10-7-2-1-5(16-7)3-13-8-6(12)4-14-9(11)15-8/h1-2,4H,3H2,(H,13,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 322.59 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79076406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).