2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide

C16H20N4O2S — CID 135431421

IUPAC2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-16(2,3)20-11(21)9-23-15-18-13(17)12(14(22)19-15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,20,21)(H3,17,18,19,22)
InChIKeySQOHFXHSPPSQCC-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.03
Rot. Bonds4

About 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide

2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide (PubChem CID 135431421) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
PubChem CID135431421
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-16(2,3)20-11(21)9-23-15-18-13(17)12(14(22)19-15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,20,21)(H3,17,18,19,22)
InChIKeySQOHFXHSPPSQCC-UHFFFAOYSA-N
XLogP2.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide (CID 135431421) is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
The InChIKey is SQOHFXHSPPSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(2,3)20-11(21)9-23-15-18-13(17)12(14(22)19-15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,20,21)(H3,17,18,19,22).
What are the key properties of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide has a molecular weight of 332.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide is sourced from PubChem (CID 135431421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).