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

C7H11BrN4 — CID 80765665

IUPAC5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)C)n1
InChIInChI=1S/C7H11BrN4/c1-9-7-10-4-5(8)6(11-7)12(2)3/h4H,1-3H3,(H,9,10,11)
InChIKeyRGPINXVRWXCURK-UHFFFAOYSA-N
MW231.10 g/mol
LogP1.35
Rot. Bonds2

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

5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 80765665) has the molecular formula C7H11BrN4 and a molecular weight of 231.10 g/mol. Its IUPAC name is 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID80765665
Molecular FormulaC7H11BrN4
Molecular Weight231.10 g/mol
Exact Mass230.02
IUPAC Name5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)C)n1
InChIInChI=1S/C7H11BrN4/c1-9-7-10-4-5(8)6(11-7)12(2)3/h4H,1-3H3,(H,9,10,11)
InChIKeyRGPINXVRWXCURK-UHFFFAOYSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 51.35
H-Bond Donors ≤ 51
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
Aminomethylpyrimidine
CID 6946837
Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-N-methylpyrimidin-2-amine
CID 13098184
N4,N4-dimethylpyrimidine-2,4-diamine
CID 13125495
5-Iodo-N-methylpyrimidin-2-amine
CID 13261511
5-Bromopyrimidine-2,4-diamine
CID 23423590

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 80765665) is 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is CNc1ncc(Br)c(N(C)C)n1.
What is the InChIKey of 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is RGPINXVRWXCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4/c1-9-7-10-4-5(8)6(11-7)12(2)3/h4H,1-3H3,(H,9,10,11).
What are the key properties of 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 231.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).