7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one

C14H14N4OS — CID 102685489

IUPAC7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCNc1ccnc(Cn2cnc3c(C)csc3c2=O)c1
InChIInChI=1S/C14H14N4OS/c1-9-7-20-13-12(9)17-8-18(14(13)19)6-11-5-10(15-2)3-4-16-11/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyIKQLBBJBMXPKSK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.25
Rot. Bonds3

About 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one

7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685489) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID102685489
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCNc1ccnc(Cn2cnc3c(C)csc3c2=O)c1
InChIInChI=1S/C14H14N4OS/c1-9-7-20-13-12(9)17-8-18(14(13)19)6-11-5-10(15-2)3-4-16-11/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyIKQLBBJBMXPKSK-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 103054670
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
CID 102685743
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 102685489) is 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one is CNc1ccnc(Cn2cnc3c(C)csc3c2=O)c1.
What is the InChIKey of 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IKQLBBJBMXPKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-7-20-13-12(9)17-8-18(14(13)19)6-11-5-10(15-2)3-4-16-11/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).