2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

C15H26N4O — CID 102640092

IUPAC2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1cc(N(C)C2CCCCC2O)nc(CC)n1
InChIInChI=1S/C15H26N4O/c1-4-13-17-14(16-5-2)10-15(18-13)19(3)11-8-6-7-9-12(11)20/h10-12,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyCYROMKZNQOGQME-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds5

About 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640092) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640092
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1cc(N(C)C2CCCCC2O)nc(CC)n1
InChIInChI=1S/C15H26N4O/c1-4-13-17-14(16-5-2)10-15(18-13)19(3)11-8-6-7-9-12(11)20/h10-12,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyCYROMKZNQOGQME-UHFFFAOYSA-N
XLogP2.21
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102640092) is 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is CCNc1cc(N(C)C2CCCCC2O)nc(CC)n1.
What is the InChIKey of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is CYROMKZNQOGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-13-17-14(16-5-2)10-15(18-13)19(3)11-8-6-7-9-12(11)20/h10-12,20H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).