6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine

C13H21BrN4 — CID 116797087

IUPAC6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCN(c1nc(N)cc(Br)n1)C1CCC(C)(C)CC1
InChIInChI=1S/C13H21BrN4/c1-13(2)6-4-9(5-7-13)18(3)12-16-10(14)8-11(15)17-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyVOYDJKDCIBTXDE-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.23
Rot. Bonds2

About 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine

6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116797087) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID116797087
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCN(c1nc(N)cc(Br)n1)C1CCC(C)(C)CC1
InChIInChI=1S/C13H21BrN4/c1-13(2)6-4-9(5-7-13)18(3)12-16-10(14)8-11(15)17-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyVOYDJKDCIBTXDE-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
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
2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
CID 80653292
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine
CID 114047673
6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine
CID 115474326
2-N-(4,4-dimethylcyclohexyl)-2-N,6-dimethylpyridine-2,3-diamine
CID 81131881
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 116796670

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine (CID 116797087) is 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine is CN(c1nc(N)cc(Br)n1)C1CCC(C)(C)CC1.
What is the InChIKey of 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VOYDJKDCIBTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-13(2)6-4-9(5-7-13)18(3)12-16-10(14)8-11(15)17-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 313.24 g/mol, XLogP of 3.23, 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-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116797087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).