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

C10H6BrCl2N3O — CID 135480645

IUPAC2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(Cl)cc(Cl)c2)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H6BrCl2N3O/c11-7-8(15-10(14)16-9(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H3,14,15,16,17)
InChIKeyHEMJWPBKELNDCK-UHFFFAOYSA-N
MW334.99 g/mol
LogP3.09
Rot. Bonds1

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

2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 135480645) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID135480645
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(Cl)cc(Cl)c2)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H6BrCl2N3O/c11-7-8(15-10(14)16-9(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H3,14,15,16,17)
InChIKeyHEMJWPBKELNDCK-UHFFFAOYSA-N
XLogP3.09
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bropirimine
CID 135413497
4(3H)-Pyrimidinone, 2-amino-5-chloro-6-(2-chlorophenyl)-
CID 135435113
2-Amino-5-chloro-6-(3-chlorophenyl)-4(3H)-pyrimidinone
CID 135480630
2-Amino-5-bromo-6-(m-chlorophenyl)-4-pyrimidinol
CID 135480631
2-Amino-6-(3-chlorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135480632
2-Amino-6-(2,5-dichlorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135480644
2-Amino-5-bromo-6-(3,4-dichlorophenyl)-4(3H)-pyrimidinone
CID 135480648
2-Amino-6-(3,4-dichlorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135480649
4(3H)-Pyrimidinone, 2-amino-5-bromo-6-(2-chlorophenyl)-
CID 135435114
4(3H)-Pyrimidinone, 2-amino-6-(2-chlorophenyl)-5-iodo-
CID 135435115
4(3H)-Pyrimidinone, 2-amino-5-bromo-6-(4-chlorophenyl)-
CID 135455451
4(3H)-Pyrimidinone, 2-amino-6-(4-chlorophenyl)-5-iodo-
CID 135480641

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one (CID 135480645) is 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one is Nc1nc(-c2cc(Cl)cc(Cl)c2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is HEMJWPBKELNDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c11-7-8(15-10(14)16-9(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H3,14,15,16,17).
What are the key properties of 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 334.99 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(3,5-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).