6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C19H13BrClN3OS — CID 118364959

IUPAC6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3sc(Br)cc23)ccc1OCc1ccccc1
InChIInChI=1S/C19H13BrClN3OS/c20-17-9-14-18(22-11-23-19(14)26-17)24-13-6-7-16(15(21)8-13)25-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24)
InChIKeyMIQDKSORFBTPHY-UHFFFAOYSA-N
MW446.76 g/mol
LogP6.43
Rot. Bonds5

About 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118364959) has the molecular formula C19H13BrClN3OS and a molecular weight of 446.76 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118364959
Molecular FormulaC19H13BrClN3OS
Molecular Weight446.76 g/mol
Exact Mass444.97
IUPAC Name6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3sc(Br)cc23)ccc1OCc1ccccc1
InChIInChI=1S/C19H13BrClN3OS/c20-17-9-14-18(22-11-23-19(14)26-17)24-13-6-7-16(15(21)8-13)25-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24)
InChIKeyMIQDKSORFBTPHY-UHFFFAOYSA-N
XLogP6.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-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

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(methylamino)prop-1-ynyl]thieno[2,3-d]pyrimidin-4-amine
CID 59982251
N-(3-chloro-4-phenylmethoxyphenyl)-16-thia-4,5,12,14-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,10,12,14-hexaen-11-amine
CID 58346740
methyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate
CID 25242463
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 44528870
4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 69221072
N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
CID 57003876
4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 67600221
3-[7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenol
CID 143115576
N-[[4-[7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]-2-hydroxyacetamide
CID 23159071
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]boronic acid
CID 21071164
1-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[2,3-d]pyrimidin-6-yl]prop-2-ynyl]-3-(2-cyanoethyl)urea
CID 59982242

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 118364959) is 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3sc(Br)cc23)ccc1OCc1ccccc1.
What is the InChIKey of 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MIQDKSORFBTPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN3OS/c20-17-9-14-18(22-11-23-19(14)26-17)24-13-6-7-16(15(21)8-13)25-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24).
What are the key properties of 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 446.76 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118364959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).