N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H19N3O2 — CID 156604629

IUPACN-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCC3CCCC32)c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-8-15-7-11(13(18)16-8)14(19)17-12-6-5-9-3-2-4-10(9)12/h7,9-10,12H,2-6H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyNOTYDTSBTDCGHS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.39
Rot. Bonds2

About N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 156604629) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID156604629
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCC3CCCC32)c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-8-15-7-11(13(18)16-8)14(19)17-12-6-5-9-3-2-4-10(9)12/h7,9-10,12H,2-6H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyNOTYDTSBTDCGHS-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 156604629) is N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCC3CCCC32)c(=O)[nH]1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NOTYDTSBTDCGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-15-7-11(13(18)16-8)14(19)17-12-6-5-9-3-2-4-10(9)12/h7,9-10,12H,2-6H2,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 156604629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).