trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

C14H15N3O2S — CID 97349734

IUPACtrans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)nc(=O)[nH]1
InChIInChI=1S/C14H15N3O2S/c1-7-3-4-20-12(7)9-6-10(9)13(18)16-11-5-8(2)15-14(19)17-11/h3-5,9-10H,6H2,1-2H3,(H2,15,16,17,18,19)/t9-,10-/m0/s1
InChIKeyQQRFPLRGSAKXSC-UWVGGRQHSA-N
MW289.36 g/mol
LogP2.19
Rot. Bonds3

About trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 97349734) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID97349734
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Nametrans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)nc(=O)[nH]1
InChIInChI=1S/C14H15N3O2S/c1-7-3-4-20-12(7)9-6-10(9)13(18)16-11-5-8(2)15-14(19)17-11/h3-5,9-10H,6H2,1-2H3,(H2,15,16,17,18,19)/t9-,10-/m0/s1
InChIKeyQQRFPLRGSAKXSC-UWVGGRQHSA-N
XLogP2.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 97349734) is trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)nc(=O)[nH]1.
What is the InChIKey of trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is QQRFPLRGSAKXSC-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-3-4-20-12(7)9-6-10(9)13(18)16-11-5-8(2)15-14(19)17-11/h3-5,9-10H,6H2,1-2H3,(H2,15,16,17,18,19)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97349734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).