2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one

C16H24N2O — CID 64764808

IUPAC2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
SMILESCC1CCC(C(C)(C)Cc2ccnc(N)c2)C(=O)C1
InChIInChI=1S/C16H24N2O/c1-11-4-5-13(14(19)8-11)16(2,3)10-12-6-7-18-15(17)9-12/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H2,17,18)
InChIKeyYCRCRJVMIROCCV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.24
Rot. Bonds3

About 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one

2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one (PubChem CID 64764808) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
PubChem CID64764808
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
SMILESCC1CCC(C(C)(C)Cc2ccnc(N)c2)C(=O)C1
InChIInChI=1S/C16H24N2O/c1-11-4-5-13(14(19)8-11)16(2,3)10-12-6-7-18-15(17)9-12/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H2,17,18)
InChIKeyYCRCRJVMIROCCV-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one?
The IUPAC name of 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one (CID 64764808) is 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one?
The canonical SMILES for 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one is CC1CCC(C(C)(C)Cc2ccnc(N)c2)C(=O)C1.
What is the InChIKey of 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one?
The InChIKey is YCRCRJVMIROCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-13(14(19)8-11)16(2,3)10-12-6-7-18-15(17)9-12/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H2,17,18).
What are the key properties of 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one?
2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one is sourced from PubChem (CID 64764808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).