2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one

C19H19N5O2S — CID 137429475

IUPAC2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)cn1
InChIInChI=1S/C19H19N5O2S/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14/h4-7,9-11H,8H2,1-3H3,(H,22,23,25)
InChIKeyLVPPIXZZRJLANV-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.48
Rot. Bonds5

About 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429475) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429475
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)cn1
InChIInChI=1S/C19H19N5O2S/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14/h4-7,9-11H,8H2,1-3H3,(H,22,23,25)
InChIKeyLVPPIXZZRJLANV-UHFFFAOYSA-N
XLogP3.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[(4-methoxyphenyl)methyl]-7-methyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134207727
5-(Furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 2999163
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948440
2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 53326627
6-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 49790243
2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one
CID 53325274
4-phenylmethoxy-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 145966515
N-[(2-methoxyphenyl)methyl]-2-methyl-3-[methyl(thiophene-2-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 172436882
N-(4-ethoxyphenyl)-3-(3-thienyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 91924445
2-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-phenylpropanediamide
CID 66648952
2-[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N'-phenylpropanediamide
CID 66648971
2-[3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-phenylpropanediamide
CID 66649022

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429475) is 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)cn1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LVPPIXZZRJLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14/h4-7,9-11H,8H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).