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

C14H11BrClN3S — CID 107576916

IUPACN-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2nc(Cl)nc3sc(C)cc23)c1
InChIInChI=1S/C14H11BrClN3S/c1-7-3-9(15)6-10(4-7)17-12-11-5-8(2)20-13(11)19-14(16)18-12/h3-6H,1-2H3,(H,17,18,19)
InChIKeyVYEHAOPVYYLHGL-UHFFFAOYSA-N
MW368.69 g/mol
LogP5.47
Rot. Bonds2

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

N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 107576916) has the molecular formula C14H11BrClN3S and a molecular weight of 368.69 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID107576916
Molecular FormulaC14H11BrClN3S
Molecular Weight368.69 g/mol
Exact Mass366.95
IUPAC NameN-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2nc(Cl)nc3sc(C)cc23)c1
InChIInChI=1S/C14H11BrClN3S/c1-7-3-9(15)6-10(4-7)17-12-11-5-8(2)20-13(11)19-14(16)18-12/h3-6H,1-2H3,(H,17,18,19)
InChIKeyVYEHAOPVYYLHGL-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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 107576916) is N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc(Br)cc(Nc2nc(Cl)nc3sc(C)cc23)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VYEHAOPVYYLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3S/c1-7-3-9(15)6-10(4-7)17-12-11-5-8(2)20-13(11)19-14(16)18-12/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3-bromo-5-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-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107576916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).