2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol

C16H28N4O — CID 102640212

IUPAC2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1cc(N(C)C2CCCCC2O)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-17-14-10-15(19-16(18-14)11(2)3)20(4)12-8-6-7-9-13(12)21/h10-13,21H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyIPHMKKQCGBATFQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.77
Rot. Bonds5

About 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol

2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640212) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640212
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1cc(N(C)C2CCCCC2O)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-17-14-10-15(19-16(18-14)11(2)3)20(4)12-8-6-7-9-13(12)21/h10-13,21H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyIPHMKKQCGBATFQ-UHFFFAOYSA-N
XLogP2.77
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102640212) is 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol is CCNc1cc(N(C)C2CCCCC2O)nc(C(C)C)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is IPHMKKQCGBATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-14-10-15(19-16(18-14)11(2)3)20(4)12-8-6-7-9-13(12)21/h10-13,21H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).