6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide

C20H29N3O2 — CID 156880544

IUPAC6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCC23CC4CC(C2)C(C4)C3)nc(=O)[nH]1
InChIInChI=1S/C20H29N3O2/c1-12(2)5-16-8-17(23-19(25)22-16)18(24)21-4-3-20-9-13-6-14(10-20)15(7-13)11-20/h8,12-15H,3-7,9-11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeySTOBWBZYVLWUKP-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.91
Rot. Bonds6

About 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 156880544) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID156880544
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCC23CC4CC(C2)C(C4)C3)nc(=O)[nH]1
InChIInChI=1S/C20H29N3O2/c1-12(2)5-16-8-17(23-19(25)22-16)18(24)21-4-3-20-9-13-6-14(10-20)15(7-13)11-20/h8,12-15H,3-7,9-11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeySTOBWBZYVLWUKP-UHFFFAOYSA-N
XLogP2.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide (CID 156880544) is 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCCC23CC4CC(C2)C(C4)C3)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is STOBWBZYVLWUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-12(2)5-16-8-17(23-19(25)22-16)18(24)21-4-3-20-9-13-6-14(10-20)15(7-13)11-20/h8,12-15H,3-7,9-11H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156880544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).