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

C20H16ClN3S — CID 2413300

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C20H16ClN3S/c1-13-23-19(22-12-14-7-9-16(21)10-8-14)17-11-18(25-20(17)24-13)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyMIDSMHKWYHBBFS-UHFFFAOYSA-N
MW365.89 g/mol
LogP5.93
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2413300) has the molecular formula C20H16ClN3S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2413300
Molecular FormulaC20H16ClN3S
Molecular Weight365.89 g/mol
Exact Mass365.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C20H16ClN3S/c1-13-23-19(22-12-14-7-9-16(21)10-8-14)17-11-18(25-20(17)24-13)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyMIDSMHKWYHBBFS-UHFFFAOYSA-N
XLogP5.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.89
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2413300) is N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MIDSMHKWYHBBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3S/c1-13-23-19(22-12-14-7-9-16(21)10-8-14)17-11-18(25-20(17)24-13)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.89 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2413300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).