5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one

C10H9Cl2N3OS — CID 136908662

IUPAC5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCc2ccc(Cl)s2)c1Cl
InChIInChI=1S/C10H9Cl2N3OS/c11-7-2-1-6(17-7)3-4-13-9-8(12)10(16)15-5-14-9/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyHFZUHEIOZHBJOH-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.79
Rot. Bonds4

About 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136908662) has the molecular formula C10H9Cl2N3OS and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136908662
Molecular FormulaC10H9Cl2N3OS
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCc2ccc(Cl)s2)c1Cl
InChIInChI=1S/C10H9Cl2N3OS/c11-7-2-1-6(17-7)3-4-13-9-8(12)10(16)15-5-14-9/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyHFZUHEIOZHBJOH-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975243
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908657
5-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973683
4-[(4-aminophenyl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136979125
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214874

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136908662) is 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCc2ccc(Cl)s2)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is HFZUHEIOZHBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3OS/c11-7-2-1-6(17-7)3-4-13-9-8(12)10(16)15-5-14-9/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 290.18 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136908662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).