2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one

C10H8Cl2N4O — CID 135449094

IUPAC2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-6(12)3-7(2-5)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
InChIKeyRRVGSKJQAFDHMO-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.40
Rot. Bonds2

About 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one

2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one (PubChem CID 135449094) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
PubChem CID135449094
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-6(12)3-7(2-5)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
InChIKeyRRVGSKJQAFDHMO-UHFFFAOYSA-N
XLogP2.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
1-(3,5'-Dichlorophenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-S-triazine
CID 18517
1-(Diaminomethylidene)-3-(3,4,5-trichlorophenyl)urea
CID 44531269
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
2-(3-chloroanilino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23724081
Mls000738016
CID 229747
1-(Diaminomethylidene)-3-(3,5-dichloro-4-fluorophenyl)urea
CID 44531332
1-(3-Chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea
CID 70687689
2-amino-6-(3,4-dichloroanilino)-1H-pyrimidin-4-one
CID 135400927
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 135401621
2-amino-6-(2-chloroanilino)-1H-pyrimidin-4-one
CID 135408518

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one (CID 135449094) is 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one is Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one?
The InChIKey is RRVGSKJQAFDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-5-1-6(12)3-7(2-5)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17).
What are the key properties of 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one?
2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one has a molecular weight of 271.11 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135449094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).