7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C18H15N5OS — CID 142506735

IUPAC7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCNc1cc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)ccc1N
InChIInChI=1S/C18H15N5OS/c1-20-14-8-10(5-6-12(14)19)11-9-25-16-15(11)22-17(23-18(16)24)13-4-2-3-7-21-13/h2-9,20H,19H2,1H3,(H,22,23,24)
InChIKeyHLIHXLDRSVODST-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.34
Rot. Bonds3

About 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 142506735) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID142506735
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCNc1cc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)ccc1N
InChIInChI=1S/C18H15N5OS/c1-20-14-8-10(5-6-12(14)19)11-9-25-16-15(11)22-17(23-18(16)24)13-4-2-3-7-21-13/h2-9,20H,19H2,1H3,(H,22,23,24)
InChIKeyHLIHXLDRSVODST-UHFFFAOYSA-N
XLogP3.34
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429426
7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429806
7-(4-methoxy-2,5-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429786
ethane;7-[4-(oxolan-3-yloxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506738
2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 163986507
7-piperidin-1-ium-4-yl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 147185081
4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
CID 137223319
7-(3,4-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135631015
7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 135631951
7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159869922
4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one
CID 135609644
5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889030

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 142506735) is 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CNc1cc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)ccc1N.
What is the InChIKey of 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HLIHXLDRSVODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-20-14-8-10(5-6-12(14)19)11-9-25-16-15(11)22-17(23-18(16)24)13-4-2-3-7-21-13/h2-9,20H,19H2,1H3,(H,22,23,24).
What are the key properties of 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 349.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).