2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C20H30N4O — CID 70745770

IUPAC2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1cnc(C)nc1N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C20H30N4O/c1-3-17-11-21-15(2)22-19(17)23-10-4-8-20(13-23)9-7-18(25)24(14-20)12-16-5-6-16/h11,16H,3-10,12-14H2,1-2H3
InChIKeyGRFVRVRXAINTQB-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.97
Rot. Bonds4

About 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70745770) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70745770
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1cnc(C)nc1N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C20H30N4O/c1-3-17-11-21-15(2)22-19(17)23-10-4-8-20(13-23)9-7-18(25)24(14-20)12-16-5-6-16/h11,16H,3-10,12-14H2,1-2H3
InChIKeyGRFVRVRXAINTQB-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70761551
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766
2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
CID 70718159
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70762499
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70750032
2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
4-(5-ethyl-2-methylpyrimidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70716153
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731726

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70745770) is 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1cnc(C)nc1N1CCCC2(CCC(=O)N(CC3CC3)C2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GRFVRVRXAINTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-17-11-21-15(2)22-19(17)23-10-4-8-20(13-23)9-7-18(25)24(14-20)12-16-5-6-16/h11,16H,3-10,12-14H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 342.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70745770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).