5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one

C7H7Cl2N3O — CID 136976977

IUPAC5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
SMILESC=C(Cl)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H7Cl2N3O/c1-4(8)2-10-6-5(9)7(13)12-3-11-6/h3H,1-2H2,(H2,10,11,12,13)
InChIKeyWGZDSJRHPLVYOU-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.59
Rot. Bonds3

About 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one (PubChem CID 136976977) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
PubChem CID136976977
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
SMILESC=C(Cl)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H7Cl2N3O/c1-4(8)2-10-6-5(9)7(13)12-3-11-6/h3H,1-2H2,(H2,10,11,12,13)
InChIKeyWGZDSJRHPLVYOU-UHFFFAOYSA-N
XLogP1.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one (CID 136976977) is 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one is C=C(Cl)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one?
The InChIKey is WGZDSJRHPLVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-4(8)2-10-6-5(9)7(13)12-3-11-6/h3H,1-2H2,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one has a molecular weight of 220.06 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).