N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H11BrClN3S — CID 103320740

IUPACN-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Br)ccc3C)nc(Cl)nc2s1
InChIInChI=1S/C14H11BrClN3S/c1-7-3-4-9(15)6-11(7)17-12-10-5-8(2)20-13(10)19-14(16)18-12/h3-6H,1-2H3,(H,17,18,19)
InChIKeyQFBPQFHEONZQJZ-UHFFFAOYSA-N
MW368.69 g/mol
LogP5.47
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320740) has the molecular formula C14H11BrClN3S and a molecular weight of 368.69 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320740
Molecular FormulaC14H11BrClN3S
Molecular Weight368.69 g/mol
Exact Mass366.95
IUPAC NameN-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Br)ccc3C)nc(Cl)nc2s1
InChIInChI=1S/C14H11BrClN3S/c1-7-3-4-9(15)6-11(7)17-12-10-5-8(2)20-13(10)19-14(16)18-12/h3-6H,1-2H3,(H,17,18,19)
InChIKeyQFBPQFHEONZQJZ-UHFFFAOYSA-N
XLogP5.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
CID 82065977
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
4-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323548
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103320740) is N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cc(Br)ccc3C)nc(Cl)nc2s1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QFBPQFHEONZQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3S/c1-7-3-4-9(15)6-11(7)17-12-10-5-8(2)20-13(10)19-14(16)18-12/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.69 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).