2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one

C5H7BrN4O — CID 135413096

IUPAC2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C5H7BrN4O/c1-8-3-2(6)4(11)10-5(7)9-3/h1H3,(H4,7,8,9,10,11)
InChIKeyYEFKNCCBGLQZJN-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.16
Rot. Bonds1

About 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one

2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135413096) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one
PubChem CID135413096
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C5H7BrN4O/c1-8-3-2(6)4(11)10-5(7)9-3/h1H3,(H4,7,8,9,10,11)
InChIKeyYEFKNCCBGLQZJN-UHFFFAOYSA-N
XLogP0.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one (CID 135413096) is 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one is CNc1nc(N)[nH]c(=O)c1Br.
What is the InChIKey of 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is YEFKNCCBGLQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-8-3-2(6)4(11)10-5(7)9-3/h1H3,(H4,7,8,9,10,11).
What are the key properties of 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 219.04 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135413096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).