6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine

C9H13BrN4 — CID 116797489

IUPAC6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
SMILESCN(c1nc(N)cc(Br)n1)C1CCC1
InChIInChI=1S/C9H13BrN4/c1-14(6-3-2-4-6)9-12-7(10)5-8(11)13-9/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyJFLLUDQFTDTJGB-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.81
Rot. Bonds2

About 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine

6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116797489) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
PubChem CID116797489
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
SMILESCN(c1nc(N)cc(Br)n1)C1CCC1
InChIInChI=1S/C9H13BrN4/c1-14(6-3-2-4-6)9-12-7(10)5-8(11)13-9/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyJFLLUDQFTDTJGB-UHFFFAOYSA-N
XLogP1.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 116797087
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 116796670
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine (CID 116797489) is 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine is CN(c1nc(N)cc(Br)n1)C1CCC1.
What is the InChIKey of 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is JFLLUDQFTDTJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c1-14(6-3-2-4-6)9-12-7(10)5-8(11)13-9/h5-6H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine?
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 257.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116797489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).