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

C10H17N3O2S — CID 64900395

IUPAC2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC(CCO)CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-11-8(4-6-14)7-16-10-12-5-3-9(15)13-10/h3,5,8,11,14H,2,4,6-7H2,1H3,(H,12,13,15)
InChIKeyHNJXLDRZRSYVHC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.22
Rot. Bonds7

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

2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64900395) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64900395
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC(CCO)CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-11-8(4-6-14)7-16-10-12-5-3-9(15)13-10/h3,5,8,11,14H,2,4,6-7H2,1H3,(H,12,13,15)
InChIKeyHNJXLDRZRSYVHC-UHFFFAOYSA-N
XLogP0.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one (CID 64900395) is 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one is CCNC(CCO)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HNJXLDRZRSYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-11-8(4-6-14)7-16-10-12-5-3-9(15)13-10/h3,5,8,11,14H,2,4,6-7H2,1H3,(H,12,13,15).
What are the key properties of 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 243.33 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-4-hydroxybutyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64900395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).