4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C33H26Cl3N7S2 — CID 158776014

IUPAC4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccccn3)nc(Cl)c2c1C.Cc1sc2nc(-c3ccccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1C
InChIInChI=1S/C20H16Cl2N4S.C13H10ClN3S/c1-11-12(2)27-20-17(11)19(24-10-13-6-7-14(21)15(22)9-13)25-18(26-20)16-5-3-4-8-23-16;1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-5-3-4-6-15-9/h3-9H,10H2,1-2H3,(H,24,25,26);3-6H,1-2H3
InChIKeyIQMBQUKEZYXBTJ-UHFFFAOYSA-N
MW691.11 g/mol
LogP10.31
Rot. Bonds5

About 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 158776014) has the molecular formula C33H26Cl3N7S2 and a molecular weight of 691.11 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID158776014
Molecular FormulaC33H26Cl3N7S2
Molecular Weight691.11 g/mol
Exact Mass689.08
IUPAC Name4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccccn3)nc(Cl)c2c1C.Cc1sc2nc(-c3ccccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1C
InChIInChI=1S/C20H16Cl2N4S.C13H10ClN3S/c1-11-12(2)27-20-17(11)19(24-10-13-6-7-14(21)15(22)9-13)25-18(26-20)16-5-3-4-8-23-16;1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-5-3-4-6-15-9/h3-9H,10H2,1-2H3,(H,24,25,26);3-6H,1-2H3
InChIKeyIQMBQUKEZYXBTJ-UHFFFAOYSA-N
XLogP10.31
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.11
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460090
N-[(3,4-dichlorophenyl)methyl]-5-pyridin-2-yl-8-thia-4,6-diazatetracyclo[7.5.0.02,7.010,14]tetradeca-1(9),2,4,6,13-pentaen-3-amine
CID 139844992
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460507
4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 161065061
2-chloro-N-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 18460355
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460235
5,6-dimethyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17481821
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686938
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686800
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
N-ethyl-5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 63988987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 158776014) is 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccccn3)nc(Cl)c2c1C.Cc1sc2nc(-c3ccccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IQMBQUKEZYXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4S.C13H10ClN3S/c1-11-12(2)27-20-17(11)19(24-10-13-6-7-14(21)15(22)9-13)25-18(26-20)16-5-3-4-8-23-16;1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-5-3-4-6-15-9/h3-9H,10H2,1-2H3,(H,24,25,26);3-6H,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 691.11 g/mol, XLogP of 10.31, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).