2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide

C16H17N3O2S — CID 135952635

IUPAC2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)NC1CC1
InChIInChI=1S/C16H17N3O2S/c20-14(17-12-6-7-12)8-13-9-15(21)19-16(18-13)22-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,17,20)(H,18,19,21)
InChIKeyGUNMIFSNHNXCFM-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.88
Rot. Bonds6

About 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide

2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide (PubChem CID 135952635) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide
PubChem CID135952635
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)NC1CC1
InChIInChI=1S/C16H17N3O2S/c20-14(17-12-6-7-12)8-13-9-15(21)19-16(18-13)22-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,17,20)(H,18,19,21)
InChIKeyGUNMIFSNHNXCFM-UHFFFAOYSA-N
XLogP1.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135405931
CID 135405931
CID 135853372
CID 135853372
CID 18470371
CID 18470371
CID 1820073
CID 1820073
CID 2999100
CID 2999100
CID 4182430
CID 4182430
CID 4414779
CID 4414779
CID 135410547
CID 135410547
CID 135415543
CID 135415543
CID 135416815
CID 135416815
CID 135441620
CID 135441620
CID 135485476
CID 135485476

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide (CID 135952635) is 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide is O=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)NC1CC1.
What is the InChIKey of 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide?
The InChIKey is GUNMIFSNHNXCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-14(17-12-6-7-12)8-13-9-15(21)19-16(18-13)22-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,17,20)(H,18,19,21).
What are the key properties of 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide?
2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide has a molecular weight of 315.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 135952635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).