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

C19H13Cl2N3S — CID 91965124

IUPACN-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3ccccc3)nc2s1
InChIInChI=1S/C19H13Cl2N3S/c1-11-7-16-18(22-15-9-13(20)8-14(21)10-15)23-17(24-19(16)25-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23,24)
InChIKeyPRGNUTUBAMXRSQ-UHFFFAOYSA-N
MW386.31 g/mol
LogP6.72
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965124) has the molecular formula C19H13Cl2N3S and a molecular weight of 386.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965124
Molecular FormulaC19H13Cl2N3S
Molecular Weight386.31 g/mol
Exact Mass385.02
IUPAC NameN-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3ccccc3)nc2s1
InChIInChI=1S/C19H13Cl2N3S/c1-11-7-16-18(22-15-9-13(20)8-14(21)10-15)23-17(24-19(16)25-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23,24)
InChIKeyPRGNUTUBAMXRSQ-UHFFFAOYSA-N
XLogP6.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine (CID 91965124) is N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3ccccc3)nc2s1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PRGNUTUBAMXRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3S/c1-11-7-16-18(22-15-9-13(20)8-14(21)10-15)23-17(24-19(16)25-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 386.31 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).