1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine

C19H16N4S — CID 18382813

IUPAC1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCNc1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H16N4S/c1-20-14-7-9-15(10-8-14)23-19-18-16(21-12-22-19)11-17(24-18)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,21,22,23)
InChIKeyCTZLRHLEDIPBSH-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.14
Rot. Bonds4

About 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine

1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 18382813) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
PubChem CID18382813
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCNc1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H16N4S/c1-20-14-7-9-15(10-8-14)23-19-18-16(21-12-22-19)11-17(24-18)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,21,22,23)
InChIKeyCTZLRHLEDIPBSH-UHFFFAOYSA-N
XLogP5.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine (CID 18382813) is 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine is CNc1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is CTZLRHLEDIPBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-20-14-7-9-15(10-8-14)23-19-18-16(21-12-22-19)11-17(24-18)13-5-3-2-4-6-13/h2-12,20H,1H3,(H,21,22,23).
What are the key properties of 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine?
1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 332.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(6-phenylthieno[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 18382813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).