2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H20N4O2S — CID 136858367

IUPAC2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)C[C@]1(C(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1cccs1
InChIInChI=1S/C17H20N4O2S/c1-16(2)9-17(16,12-4-3-7-24-12)14(23)21-6-5-10-11(8-21)19-15(18)20-13(10)22/h3-4,7H,5-6,8-9H2,1-2H3,(H3,18,19,20,22)/t17-/m1/s1
InChIKeyLHLYQOQUGLLEPK-QGZVFWFLSA-N
MW344.44 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136858367) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136858367
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)C[C@]1(C(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1cccs1
InChIInChI=1S/C17H20N4O2S/c1-16(2)9-17(16,12-4-3-7-24-12)14(23)21-6-5-10-11(8-21)19-15(18)20-13(10)22/h3-4,7H,5-6,8-9H2,1-2H3,(H3,18,19,20,22)/t17-/m1/s1
InChIKeyLHLYQOQUGLLEPK-QGZVFWFLSA-N
XLogP1.67
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(2R)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
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2-amino-6-[(5-thiophen-2-ylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
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2-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136858367) is 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1(C)C[C@]1(C(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1cccs1.
What is the InChIKey of 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LHLYQOQUGLLEPK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-16(2)9-17(16,12-4-3-7-24-12)14(23)21-6-5-10-11(8-21)19-15(18)20-13(10)22/h3-4,7H,5-6,8-9H2,1-2H3,(H3,18,19,20,22)/t17-/m1/s1.
What are the key properties of 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 344.44 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136858367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).