5-bromo-4-N-methylpyrimidine-2,4-diamine

C5H7BrN4 — CID 56923644

IUPAC5-bromo-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1Br
InChIInChI=1S/C5H7BrN4/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H3,7,8,9,10)
InChIKeyHEGWXKJVAAVDJL-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.86
Rot. Bonds1

About 5-bromo-4-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-methylpyrimidine-2,4-diamine (PubChem CID 56923644) has the molecular formula C5H7BrN4 and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methylpyrimidine-2,4-diamine
PubChem CID56923644
Molecular FormulaC5H7BrN4
Molecular Weight203.04 g/mol
Exact Mass201.99
IUPAC Name5-bromo-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1Br
InChIInChI=1S/C5H7BrN4/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H3,7,8,9,10)
InChIKeyHEGWXKJVAAVDJL-UHFFFAOYSA-N
XLogP0.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
5-Bromopyrimidine
CID 78344
2-Amino-5-bromopyrimidine
CID 231310
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
5-Methylpyrimidin-4-amine
CID 21719209
4-Amino-5-bromopyrimidine
CID 10261576
5-Bromo-2-chloropyrimidine
CID 606665
N-methylpyrimidin-4-amine
CID 519971
Aminomethylpyrimidine
CID 6946837
5-Bromopyrimidine-2-carbonitrile
CID 686546
2-Chloro-5-methylpyrimidin-4-amine
CID 4302175
Pyrimidine, 5-bromo-2-methoxy-
CID 139657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-methylpyrimidine-2,4-diamine (CID 56923644) is 5-bromo-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-methylpyrimidine-2,4-diamine is CNc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is HEGWXKJVAAVDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H3,7,8,9,10).
What are the key properties of 5-bromo-4-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 203.04 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 56923644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).