N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C20H31N3O3 — CID 136512894

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCOC1CC(NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C12CCCCC2
InChIInChI=1S/C20H31N3O3/c1-5-26-15-11-14(20(15)9-7-6-8-10-20)22-18(24)16-13(4)21-17(12(2)3)23-19(16)25/h12,14-15H,5-11H2,1-4H3,(H,22,24)(H,21,23,25)
InChIKeyXIYPZCZZHJDFAK-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.06
Rot. Bonds5

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 136512894) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID136512894
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCOC1CC(NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C12CCCCC2
InChIInChI=1S/C20H31N3O3/c1-5-26-15-11-14(20(15)9-7-6-8-10-20)22-18(24)16-13(4)21-17(12(2)3)23-19(16)25/h12,14-15H,5-11H2,1-4H3,(H,22,24)(H,21,23,25)
InChIKeyXIYPZCZZHJDFAK-UHFFFAOYSA-N
XLogP3.06
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 136512894) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CCOC1CC(NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is XIYPZCZZHJDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-26-15-11-14(20(15)9-7-6-8-10-20)22-18(24)16-13(4)21-17(12(2)3)23-19(16)25/h12,14-15H,5-11H2,1-4H3,(H,22,24)(H,21,23,25).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136512894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).