4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one

C14H19N5OS — CID 136985232

IUPAC4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNC(CC)c1ccc(Sc2nc(N)cc(=O)[nH]2)cn1
InChIInChI=1S/C14H19N5OS/c1-3-10(16-4-2)11-6-5-9(8-17-11)21-14-18-12(15)7-13(20)19-14/h5-8,10,16H,3-4H2,1-2H3,(H3,15,18,19,20)
InChIKeyZTVXGCUAEWEDGM-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.96
Rot. Bonds6

About 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one

4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 136985232) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID136985232
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNC(CC)c1ccc(Sc2nc(N)cc(=O)[nH]2)cn1
InChIInChI=1S/C14H19N5OS/c1-3-10(16-4-2)11-6-5-9(8-17-11)21-14-18-12(15)7-13(20)19-14/h5-8,10,16H,3-4H2,1-2H3,(H3,15,18,19,20)
InChIKeyZTVXGCUAEWEDGM-UHFFFAOYSA-N
XLogP1.96
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 115940323
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228
2-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355458
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123422
ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
CID 136919468
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (CID 136985232) is 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is CCNC(CC)c1ccc(Sc2nc(N)cc(=O)[nH]2)cn1.
What is the InChIKey of 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ZTVXGCUAEWEDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-10(16-4-2)11-6-5-9(8-17-11)21-14-18-12(15)7-13(20)19-14/h5-8,10,16H,3-4H2,1-2H3,(H3,15,18,19,20).
What are the key properties of 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 305.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136985232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).