2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one

C12H14N4OS — CID 113355228

IUPAC2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCC[C@@H](N)c1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C12H14N4OS/c1-2-9(13)10-4-3-8(7-15-10)18-12-14-6-5-11(17)16-12/h3-7,9H,2,13H2,1H3,(H,14,16,17)/t9-/m1/s1
InChIKeyMXSKJFAIDZEVON-SECBINFHSA-N
MW262.34 g/mol
LogP1.73
Rot. Bonds4

About 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one

2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 113355228) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID113355228
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCC[C@@H](N)c1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C12H14N4OS/c1-2-9(13)10-4-3-8(7-15-10)18-12-14-6-5-11(17)16-12/h3-7,9H,2,13H2,1H3,(H,14,16,17)/t9-/m1/s1
InChIKeyMXSKJFAIDZEVON-SECBINFHSA-N
XLogP1.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355458
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082
2-[2-(1-aminopropyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 112678587
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 115489944
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (CID 113355228) is 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is CC[C@@H](N)c1ccc(Sc2nccc(=O)[nH]2)cn1.
What is the InChIKey of 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is MXSKJFAIDZEVON-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-9(13)10-4-3-8(7-15-10)18-12-14-6-5-11(17)16-12/h3-7,9H,2,13H2,1H3,(H,14,16,17)/t9-/m1/s1.
What are the key properties of 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 262.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 113355228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).