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

C19H13Cl3N4S — CID 18460090

IUPAC5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl
InChIInChI=1S/C19H13Cl3N4S/c1-10-16(22)15-18(24-9-11-5-6-12(20)13(21)8-11)25-17(26-19(15)27-10)14-4-2-3-7-23-14/h2-8H,9H2,1H3,(H,24,25,26)
InChIKeyWGXIRBOBSJZCMZ-UHFFFAOYSA-N
MW435.77 g/mol
LogP6.63
Rot. Bonds4

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

5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460090) has the molecular formula C19H13Cl3N4S and a molecular weight of 435.77 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18460090
Molecular FormulaC19H13Cl3N4S
Molecular Weight435.77 g/mol
Exact Mass433.99
IUPAC Name5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl
InChIInChI=1S/C19H13Cl3N4S/c1-10-16(22)15-18(24-9-11-5-6-12(20)13(21)8-11)25-17(26-19(15)27-10)14-4-2-3-7-23-14/h2-8H,9H2,1H3,(H,24,25,26)
InChIKeyWGXIRBOBSJZCMZ-UHFFFAOYSA-N
XLogP6.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.77
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 18460090) is 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl.
What is the InChIKey of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WGXIRBOBSJZCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N4S/c1-10-16(22)15-18(24-9-11-5-6-12(20)13(21)8-11)25-17(26-19(15)27-10)14-4-2-3-7-23-14/h2-8H,9H2,1H3,(H,24,25,26).
What are the key properties of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 435.77 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).