5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

C8H12N4OS — CID 136726599

IUPAC5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2CCSC2)nc[nH]c1=O
InChIInChI=1S/C8H12N4OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3,9H2,(H2,10,11,12,13)
InChIKeyCRUZWCQBSZCFOZ-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.27
Rot. Bonds2

About 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136726599) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136726599
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2CCSC2)nc[nH]c1=O
InChIInChI=1S/C8H12N4OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3,9H2,(H2,10,11,12,13)
InChIKeyCRUZWCQBSZCFOZ-UHFFFAOYSA-N
XLogP0.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (CID 136726599) is 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is Nc1c(NC2CCSC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is CRUZWCQBSZCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3,9H2,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 212.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).