5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine

C12H19BrN4 — CID 114071933

IUPAC5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
SMILESCC1CCCC(Nc2ncnc(N)c2Br)C1C
InChIInChI=1S/C12H19BrN4/c1-7-4-3-5-9(8(7)2)17-12-10(13)11(14)15-6-16-12/h6-9H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyWTZJVPCQSFSUKI-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine

5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 114071933) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID114071933
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
SMILESCC1CCCC(Nc2ncnc(N)c2Br)C1C
InChIInChI=1S/C12H19BrN4/c1-7-4-3-5-9(8(7)2)17-12-10(13)11(14)15-6-16-12/h6-9H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyWTZJVPCQSFSUKI-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
CID 80778398
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
CID 106875451
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 80840241
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
4-N-(2,3-dimethylcyclohexyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 112726494
5-bromo-4-N-(4-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 114072068
2-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 63278381
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-4,6-diamine
CID 114072004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine (CID 114071933) is 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine is CC1CCCC(Nc2ncnc(N)c2Br)C1C.
What is the InChIKey of 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is WTZJVPCQSFSUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-7-4-3-5-9(8(7)2)17-12-10(13)11(14)15-6-16-12/h6-9H,3-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine?
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 299.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114071933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).