2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one

C18H23N5O2S — CID 46948437

IUPAC2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ncccc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1
InChIInChI=1S/C18H23N5O2S/c1-22(2)10-6-9-20-18-21-13-11-14(26-15(13)17(24)23(18)3)12-7-5-8-19-16(12)25-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,21)
InChIKeyZZYJYARFROLMSV-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.43
Rot. Bonds7

About 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one

2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 46948437) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID46948437
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ncccc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1
InChIInChI=1S/C18H23N5O2S/c1-22(2)10-6-9-20-18-21-13-11-14(26-15(13)17(24)23(18)3)12-7-5-8-19-16(12)25-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,21)
InChIKeyZZYJYARFROLMSV-UHFFFAOYSA-N
XLogP2.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
(S)-2-(6-methoxypyridin-3-yl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52949739
3-Ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729747
6-(2-Amino-4-pyridinyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156018822
3-[(3-Methoxyphenyl)methyl]-6-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-4-one
CID 156019065
N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
CID 46942443
6-(3-Methoxyphenyl)-3-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46942573
6-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 49790243
3-[(3-Methoxyphenyl)methyl]-6-pyridin-3-ylthieno[2,3-d]pyrimidin-4-one
CID 156010994
3-[(3-Methoxyphenyl)methyl]-6-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-4-one
CID 156018278
N-(4-methoxyphenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414446
3-[(3-Methoxyphenyl)methyl]-7-(2-pyridin-3-ylethylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 121313525

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one (CID 46948437) is 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one is COc1ncccc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZZYJYARFROLMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-22(2)10-6-9-20-18-21-13-11-14(26-15(13)17(24)23(18)3)12-7-5-8-19-16(12)25-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,21).
What are the key properties of 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one?
2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-6-(2-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 46948437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).