2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide

C21H35N5O2 — CID 167835986

IUPAC2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide
SMILESCOCCN1CCCC2(C1)C(NC(=O)c1cnc(C(C)(C)C)nc1)CCN2C
InChIInChI=1S/C21H35N5O2/c1-20(2,3)19-22-13-16(14-23-19)18(27)24-17-7-10-25(4)21(17)8-6-9-26(15-21)11-12-28-5/h13-14,17H,6-12,15H2,1-5H3,(H,24,27)
InChIKeyZSXDNQKBYRMOQF-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.69
Rot. Bonds5

About 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide

2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide (PubChem CID 167835986) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide
PubChem CID167835986
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide
SMILESCOCCN1CCCC2(C1)C(NC(=O)c1cnc(C(C)(C)C)nc1)CCN2C
InChIInChI=1S/C21H35N5O2/c1-20(2,3)19-22-13-16(14-23-19)18(27)24-17-7-10-25(4)21(17)8-6-9-26(15-21)11-12-28-5/h13-14,17H,6-12,15H2,1-5H3,(H,24,27)
InChIKeyZSXDNQKBYRMOQF-UHFFFAOYSA-N
XLogP1.69
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
CID 13282862
N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 175623541
(E)-but-2-enedioic acid;bis(4-methoxy-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide)
CID 131713379
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
N-(1-methyl-1,9-diazaspiro[4.5]decan-4-yl)pyridine-3-carboxamide
CID 167754428
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
methyl 2-tert-butylpyrimidine-5-carboxylate
CID 11446870
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
2-cyclohexyl-N-[9-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]acetamide
CID 167748551
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide
CID 154670628
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide (CID 167835986) is 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide is COCCN1CCCC2(C1)C(NC(=O)c1cnc(C(C)(C)C)nc1)CCN2C.
What is the InChIKey of 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide?
The InChIKey is ZSXDNQKBYRMOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-20(2,3)19-22-13-16(14-23-19)18(27)24-17-7-10-25(4)21(17)8-6-9-26(15-21)11-12-28-5/h13-14,17H,6-12,15H2,1-5H3,(H,24,27).
What are the key properties of 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide?
2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[9-(2-methoxyethyl)-1-methyl-1,9-diazaspiro[4.5]decan-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 167835986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).