8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H29N5O3 — CID 72935931

IUPAC8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCNc1ncc(C(=O)N2CCCC3(CCC(=O)N(CCOC)C3)C2)cn1
InChIInChI=1S/C19H29N5O3/c1-3-20-18-21-11-15(12-22-18)17(26)24-8-4-6-19(14-24)7-5-16(25)23(13-19)9-10-27-2/h11-12H,3-10,13-14H2,1-2H3,(H,20,21,22)
InChIKeyPEJIDSSSIYPDJT-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.40
Rot. Bonds6

About 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72935931) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72935931
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCNc1ncc(C(=O)N2CCCC3(CCC(=O)N(CCOC)C3)C2)cn1
InChIInChI=1S/C19H29N5O3/c1-3-20-18-21-11-15(12-22-18)17(26)24-8-4-6-19(14-24)7-5-16(25)23(13-19)9-10-27-2/h11-12H,3-10,13-14H2,1-2H3,(H,20,21,22)
InChIKeyPEJIDSSSIYPDJT-UHFFFAOYSA-N
XLogP1.40
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-8-(1-tert-butylpyrrole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124195
(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
2-(3-methoxypropyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754929
2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113251
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307
(6S)-2-ethyl-8-(2-pyridin-4-ylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95895738
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809

Frequently Asked Questions

What is the IUPAC name of 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72935931) is 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCNc1ncc(C(=O)N2CCCC3(CCC(=O)N(CCOC)C3)C2)cn1.
What is the InChIKey of 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PEJIDSSSIYPDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-20-18-21-11-15(12-22-18)17(26)24-8-4-6-19(14-24)7-5-16(25)23(13-19)9-10-27-2/h11-12H,3-10,13-14H2,1-2H3,(H,20,21,22).
What are the key properties of 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 375.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(ethylamino)pyrimidine-5-carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72935931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).