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

C20H31N3O3 — CID 136902490

IUPACN-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCO[C@@H]1C[C@H](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)/t14-,15+/m0/s1
InChIKeyXIYPZCZZHJDFAK-LSDHHAIUSA-N
MW361.49 g/mol
LogP3.06
Rot. Bonds5

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

N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 136902490) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID136902490
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCO[C@@H]1C[C@H](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)/t14-,15+/m0/s1
InChIKeyXIYPZCZZHJDFAK-LSDHHAIUSA-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

Analyze N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136303260
N-(3-ethoxyspiro[3.5]nonan-1-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136512894
2-tert-butyl-4-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722497
2-tert-butyl-4-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722498
2-tert-butyl-4-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722499
2-tert-butyl-4-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722500
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136902491
N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136902492
N-[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136902493
2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 138038061
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 145880357

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 136902490) is N-[(1S,3R)-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-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CCO[C@@H]1C[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C12CCCCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is XIYPZCZZHJDFAK-LSDHHAIUSA-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)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-[(1S,3R)-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-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136902490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).