1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one

C18H29N5O2 — CID 134070979

IUPAC1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1cc(N2CCCC3(CCC(=O)N3CCN(C)C)CC2)ncn1
InChIInChI=1S/C18H29N5O2/c1-21(2)11-12-23-17(24)5-7-18(23)6-4-9-22(10-8-18)15-13-16(25-3)20-14-19-15/h13-14H,4-12H2,1-3H3
InChIKeyBSRPAFDKCQJTQB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one

1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 134070979) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID134070979
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1cc(N2CCCC3(CCC(=O)N3CCN(C)C)CC2)ncn1
InChIInChI=1S/C18H29N5O2/c1-21(2)11-12-23-17(24)5-7-18(23)6-4-9-22(10-8-18)15-13-16(25-3)20-14-19-15/h13-14H,4-12H2,1-3H3
InChIKeyBSRPAFDKCQJTQB-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681182
1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane
CID 97484609
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131688792
8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397069
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861684
8-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449930
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339
9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495906
1-[2-(dimethylamino)ethyl]-9-(1H-pyrrole-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869854

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one (CID 134070979) is 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one is COc1cc(N2CCCC3(CCC(=O)N3CCN(C)C)CC2)ncn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BSRPAFDKCQJTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21(2)11-12-23-17(24)5-7-18(23)6-4-9-22(10-8-18)15-13-16(25-3)20-14-19-15/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one?
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 134070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).