2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C10H11N5OS — CID 80893473

IUPAC2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNc1nccc(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H11N5OS/c1-2-11-9-12-6-4-8(15-9)17-10-13-5-3-7(16)14-10/h3-6H,2H2,1H3,(H,11,12,15)(H,13,14,16)
InChIKeyGOKPOOZBMWSVSC-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.14
Rot. Bonds4

About 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 80893473) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID80893473
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNc1nccc(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H11N5OS/c1-2-11-9-12-6-4-8(15-9)17-10-13-5-3-7(16)14-10/h3-6H,2H2,1H3,(H,11,12,15)(H,13,14,16)
InChIKeyGOKPOOZBMWSVSC-UHFFFAOYSA-N
XLogP1.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 80893473) is 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is CCNc1nccc(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is GOKPOOZBMWSVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-2-11-9-12-6-4-8(15-9)17-10-13-5-3-7(16)14-10/h3-6H,2H2,1H3,(H,11,12,15)(H,13,14,16).
What are the key properties of 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 249.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80893473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).