4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one

C16H18N4O3S — CID 135414683

IUPAC4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(SCC(=O)N2CCOCC2)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C16H18N4O3S/c17-14-13(11-4-2-1-3-5-11)15(22)19-16(18-14)24-10-12(21)20-6-8-23-9-7-20/h1-5H,6-10H2,(H3,17,18,19,22)
InChIKeyYNLGOWACFSSRBU-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one

4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one (PubChem CID 135414683) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one
PubChem CID135414683
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(SCC(=O)N2CCOCC2)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C16H18N4O3S/c17-14-13(11-4-2-1-3-5-11)15(22)19-16(18-14)24-10-12(21)20-6-8-23-9-7-20/h1-5H,6-10H2,(H3,17,18,19,22)
InChIKeyYNLGOWACFSSRBU-UHFFFAOYSA-N
XLogP0.97
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one (CID 135414683) is 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one is Nc1nc(SCC(=O)N2CCOCC2)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is YNLGOWACFSSRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c17-14-13(11-4-2-1-3-5-11)15(22)19-16(18-14)24-10-12(21)20-6-8-23-9-7-20/h1-5H,6-10H2,(H3,17,18,19,22).
What are the key properties of 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one?
4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 346.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135414683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).