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

C8H6ClN3OS — CID 136971394

IUPAC5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2ccsc2)c1Cl
InChIInChI=1S/C8H6ClN3OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h1-4H,(H2,10,11,12,13)
InChIKeyTWWCBYZVRJITDH-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.23
Rot. Bonds2

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

5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136971394) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136971394
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2ccsc2)c1Cl
InChIInChI=1S/C8H6ClN3OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h1-4H,(H2,10,11,12,13)
InChIKeyTWWCBYZVRJITDH-UHFFFAOYSA-N
XLogP2.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
CID 136971396
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
5-chloro-4-(3-iodoanilino)-1H-pyrimidin-6-one
CID 136970545
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 136908803
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
4-[3-(aminomethyl)anilino]-5-chloro-1H-pyrimidin-6-one
CID 136989796
4-(3-bromo-5-methylanilino)-5-chloro-1H-pyrimidin-6-one
CID 136890189
5-chloro-4-(4-methoxy-3-methylanilino)-1H-pyrimidin-6-one
CID 136971055
5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
5-chloro-4-[3-(3-chloropropyl)anilino]-1H-pyrimidin-6-one
CID 136972081
5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one (CID 136971394) is 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2ccsc2)c1Cl.
What is the InChIKey of 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is TWWCBYZVRJITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h1-4H,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 227.68 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).