4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one

C10H7Cl2N3O — CID 155144694

IUPAC4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-3-7(4-2-6)15-5-8(12)9(13)14-10(15)16/h1-5H,(H2,13,14,16)
InChIKeyUOHMNBDJEKDPHA-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.12
Rot. Bonds1

About 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one

4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one (PubChem CID 155144694) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one
PubChem CID155144694
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-3-7(4-2-6)15-5-8(12)9(13)14-10(15)16/h1-5H,(H2,13,14,16)
InChIKeyUOHMNBDJEKDPHA-UHFFFAOYSA-N
XLogP2.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Monuron
CID 8800
1-Aziridinecarboxamide, N-(4-chlorophenyl)-
CID 19280
1-(4-Chloro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 9877881
ST50544519
CID 302981
Urea, N'-(4-chlorophenyl)-N-methyl-N-phenyl-
CID 711275
1-(4-chlorophenyl)-4-(piperidin-1-yl)-1H-imidazol-2(5H)-one
CID 11277418
1-Allyl-3-(4-chlorophenyl)urea
CID 1590833
3-(4-Chlorophenyl)-1,1-diallylurea
CID 5000980
Carbantel
CID 5748654
1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522492
N-(4-chlorophenyl)-3,6-dihydro-1(2H)-pyridinecarboxamide
CID 745157
4-Amino-1-phenyl-2(1H)-pyrimidinone
CID 10773925

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one (CID 155144694) is 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one is Nc1nc(=O)n(-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one?
The InChIKey is UOHMNBDJEKDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-1-3-7(4-2-6)15-5-8(12)9(13)14-10(15)16/h1-5H,(H2,13,14,16).
What are the key properties of 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one?
4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one has a molecular weight of 256.09 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-1-(4-chlorophenyl)pyrimidin-2-one is sourced from PubChem (CID 155144694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).