5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

C10H17N5OS — CID 136876835

IUPAC5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCN2CCSCC2)nc[nH]c1=O
InChIInChI=1S/C10H17N5OS/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6,11H2,(H2,12,13,14,16)
InChIKeySWNKSBYLSGFXKA-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.19
Rot. Bonds4

About 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136876835) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136876835
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCN2CCSCC2)nc[nH]c1=O
InChIInChI=1S/C10H17N5OS/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6,11H2,(H2,12,13,14,16)
InChIKeySWNKSBYLSGFXKA-UHFFFAOYSA-N
XLogP-0.19
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (CID 136876835) is 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is Nc1c(NCCN2CCSCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is SWNKSBYLSGFXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6,11H2,(H2,12,13,14,16).
What are the key properties of 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 255.35 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136876835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).