2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine

C16H27N3 — CID 65415438

IUPAC2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1C
InChIInChI=1S/C16H27N3/c1-10-11(2)18-15(19-14(10)17)12-6-8-13(9-7-12)16(3,4)5/h12-13H,6-9H2,1-5H3,(H2,17,18,19)
InChIKeyXWTFPRAQTKLOJU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine

2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 65415438) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID65415438
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1C
InChIInChI=1S/C16H27N3/c1-10-11(2)18-15(19-14(10)17)12-6-8-13(9-7-12)16(3,4)5/h12-13H,6-9H2,1-5H3,(H2,17,18,19)
InChIKeyXWTFPRAQTKLOJU-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine (CID 65415438) is 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine is Cc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1C.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is XWTFPRAQTKLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-10-11(2)18-15(19-14(10)17)12-6-8-13(9-7-12)16(3,4)5/h12-13H,6-9H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine?
2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65415438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).