4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one

C16H28N4O — CID 136987130

IUPAC4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCC2CCN(C(C)(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C16H28N4O/c1-11-18-14(17)13(15(21)19-11)6-5-12-7-9-20(10-8-12)16(2,3)4/h12H,5-10H2,1-4H3,(H3,17,18,19,21)
InChIKeyOOLLJIRMYSVBMO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.10
Rot. Bonds3

About 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one

4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136987130) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136987130
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCC2CCN(C(C)(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C16H28N4O/c1-11-18-14(17)13(15(21)19-11)6-5-12-7-9-20(10-8-12)16(2,3)4/h12H,5-10H2,1-4H3,(H3,17,18,19,21)
InChIKeyOOLLJIRMYSVBMO-UHFFFAOYSA-N
XLogP2.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one (CID 136987130) is 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(CCC2CCN(C(C)(C)C)CC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OOLLJIRMYSVBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11-18-14(17)13(15(21)19-11)6-5-12-7-9-20(10-8-12)16(2,3)4/h12H,5-10H2,1-4H3,(H3,17,18,19,21).
What are the key properties of 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one?
4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136987130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).