4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile

C14H11N4S+ — CID 4751889

IUPAC4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile
SMILESCc1c(C#N)sc2[nH+]c(-c3ccccc3)nc(N)c12
InChIInChI=1S/C14H10N4S/c1-8-10(7-15)19-14-11(8)12(16)17-13(18-14)9-5-3-2-4-6-9/h2-6H,1H3,(H2,16,17,18)/p+1
InChIKeyVZBXVLCZOIBGSN-UHFFFAOYSA-O
MW267.34 g/mol
LogP2.54
Rot. Bonds1

About 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile

4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile (PubChem CID 4751889) has the molecular formula C14H11N4S+ and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile.

Molecular Properties

Compound Name4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile
PubChem CID4751889
Molecular FormulaC14H11N4S+
Molecular Weight267.34 g/mol
Exact Mass267.07
IUPAC Name4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile
SMILESCc1c(C#N)sc2[nH+]c(-c3ccccc3)nc(N)c12
InChIInChI=1S/C14H10N4S/c1-8-10(7-15)19-14-11(8)12(16)17-13(18-14)9-5-3-2-4-6-9/h2-6H,1H3,(H2,16,17,18)/p+1
InChIKeyVZBXVLCZOIBGSN-UHFFFAOYSA-O
XLogP2.54
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile?
The IUPAC name of 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile (CID 4751889) is 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile.
What is the SMILES notation for 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile?
The canonical SMILES for 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile is Cc1c(C#N)sc2[nH+]c(-c3ccccc3)nc(N)c12.
What is the InChIKey of 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile?
The InChIKey is VZBXVLCZOIBGSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10N4S/c1-8-10(7-15)19-14-11(8)12(16)17-13(18-14)9-5-3-2-4-6-9/h2-6H,1H3,(H2,16,17,18)/p+1.
What are the key properties of 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile?
4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile is sourced from PubChem (CID 4751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).