6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine

C13H21N3 — CID 130056199

IUPAC6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(C2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-9(2)13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyCFILOGAPGMRGKC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds2

About 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine

6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 130056199) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID130056199
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(C2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-9(2)13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyCFILOGAPGMRGKC-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine (CID 130056199) is 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(C2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CFILOGAPGMRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine?
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 130056199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).