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

C8H10ClN3OS — CID 136726593

IUPAC5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCSC2)c1Cl
InChIInChI=1S/C8H10ClN3OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyYZURMWYBFBVKHK-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.34
Rot. Bonds2

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

5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136726593) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136726593
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCSC2)c1Cl
InChIInChI=1S/C8H10ClN3OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyYZURMWYBFBVKHK-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726595
4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726596
5-bromo-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726597
5-amino-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726599
5-chloro-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778332
5-chloro-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778335
5-chloro-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811838
5-chloro-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811847
5-chloro-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823715
5-chloro-4-(2-prop-2-enylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842318
5-chloro-4-(2-prop-2-ynylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842329
5-chloro-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
CID 136896823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (CID 136726593) is 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCSC2)c1Cl.
What is the InChIKey of 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is YZURMWYBFBVKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 231.71 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).