9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H31N5O2 — CID 70785590

IUPAC9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(c1cc(C)nc(N(C)C)n1)CC2
InChIInChI=1S/C19H31N5O2/c1-15-13-16(21-18(20-15)22(2)3)23-9-7-19(8-10-23)6-5-17(25)24(14-19)11-12-26-4/h13H,5-12,14H2,1-4H3
InChIKeyYCRHFXCIKHZTDY-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.71
Rot. Bonds5

About 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70785590) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70785590
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(c1cc(C)nc(N(C)C)n1)CC2
InChIInChI=1S/C19H31N5O2/c1-15-13-16(21-18(20-15)22(2)3)23-9-7-19(8-10-23)6-5-17(25)24(14-19)11-12-26-4/h13H,5-12,14H2,1-4H3
InChIKeyYCRHFXCIKHZTDY-UHFFFAOYSA-N
XLogP1.71
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70739672
2-(3-methoxypropyl)-8-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729461
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750
2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773909
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70731379
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
2-(2-methoxyethyl)-9-[(3S)-3-methylsulfanylbutyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97143626
9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771548
9-(2,5-dimethylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72858674
2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861684

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70785590) is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(c1cc(C)nc(N(C)C)n1)CC2.
What is the InChIKey of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YCRHFXCIKHZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-13-16(21-18(20-15)22(2)3)23-9-7-19(8-10-23)6-5-17(25)24(14-19)11-12-26-4/h13H,5-12,14H2,1-4H3.
What are the key properties of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.49 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).