5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine

C14H22BrN3 — CID 66301275

IUPAC5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC1CCCC(c2nc(N)c(Br)c(C(C)C)n2)C1
InChIInChI=1S/C14H22BrN3/c1-8(2)12-11(15)13(16)18-14(17-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyVCXRLSRRBDAORE-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66301275) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66301275
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC1CCCC(c2nc(N)c(Br)c(C(C)C)n2)C1
InChIInChI=1S/C14H22BrN3/c1-8(2)12-11(15)13(16)18-14(17-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyVCXRLSRRBDAORE-UHFFFAOYSA-N
XLogP4.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine (CID 66301275) is 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine is CC1CCCC(c2nc(N)c(Br)c(C(C)C)n2)C1.
What is the InChIKey of 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VCXRLSRRBDAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-8(2)12-11(15)13(16)18-14(17-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).