5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine

C16H26BrN3 — CID 66307681

IUPAC5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC(CC)C2)nc(C)c1Br
InChIInChI=1S/C16H26BrN3/c1-4-9-18-16-14(17)11(3)19-15(20-16)13-8-6-7-12(5-2)10-13/h12-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyOXNJQSZSHROAEO-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.05
Rot. Bonds5

About 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66307681) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66307681
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC(CC)C2)nc(C)c1Br
InChIInChI=1S/C16H26BrN3/c1-4-9-18-16-14(17)11(3)19-15(20-16)13-8-6-7-12(5-2)10-13/h12-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyOXNJQSZSHROAEO-UHFFFAOYSA-N
XLogP5.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827
2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 65406195
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65413615
5-bromo-2-(1,1-dioxothiolan-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 115337254
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66307658
2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737
5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
CID 66294812
5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
CID 116647635

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine (CID 66307681) is 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCCC(CC)C2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OXNJQSZSHROAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-9-18-16-14(17)11(3)19-15(20-16)13-8-6-7-12(5-2)10-13/h12-13H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 340.31 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66307681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).