N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide

C7H9BrN4O — CID 134858929

IUPACN'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN4O/c1-12(2)4-10-7-9-3-5(8)6(13)11-7/h3-4H,1-2H3,(H,9,11,13)/b10-4+
InChIKeyJWFPIFMKQRHLOH-ONNFQVAWSA-N
MW245.08 g/mol
LogP0.75
Rot. Bonds2

About N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide

N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 134858929) has the molecular formula C7H9BrN4O and a molecular weight of 245.08 g/mol. Its IUPAC name is N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID134858929
Molecular FormulaC7H9BrN4O
Molecular Weight245.08 g/mol
Exact Mass244.00
IUPAC NameN'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN4O/c1-12(2)4-10-7-9-3-5(8)6(13)11-7/h3-4H,1-2H3,(H,9,11,13)/b10-4+
InChIKeyJWFPIFMKQRHLOH-ONNFQVAWSA-N
XLogP0.75
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-4(3H)-pyrimidinone
CID 512016
5-Bromo-2-(2-fluoroethylamino)-3-methylpyrimidin-4-one
CID 170057604
5-Bromo-2-(dimethylamino)pyrimidin-4(3H)-one
CID 15620533
5-bromo-2-(diethylamino)-1H-pyrimidin-6-one
CID 54279750
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
5-Bromo-2-(isopropylamino)-3-methylpyrimidin-4(3H)-one
CID 163196664
5-Bromo-2-(ethylamino)-3-methylpyrimidin-4-one
CID 168966508
2-Amino-5-bromo-3-methylpyrimidin-4-one
CID 170654512
2-Amino-5-bromopyrimidin-4-ol hydrobromide
CID 52987636
5-bromo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 65809847
5-Bromo-2-(methylamino)-3,4-dihydropyrimidin-4-one
CID 66315116
5-bromo-2-(propylamino)-1H-pyrimidin-6-one
CID 80866202

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide (CID 134858929) is N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is JWFPIFMKQRHLOH-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H9BrN4O/c1-12(2)4-10-7-9-3-5(8)6(13)11-7/h3-4H,1-2H3,(H,9,11,13)/b10-4+.
What are the key properties of N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 245.08 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 134858929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).