(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H30N4O2 — CID 164641719

IUPAC(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CCOC)C2)C1
InChIInChI=1S/C19H30N4O2/c1-4-16-12-20-15(2)21-18(16)23-9-5-7-19(14-23)8-6-17(24)22(13-19)10-11-25-3/h12H,4-11,13-14H2,1-3H3/t19-/m0/s1
InChIKeyPNUNPUQZSKATLB-IBGZPJMESA-N
MW346.48 g/mol
LogP2.20
Rot. Bonds5

About (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 164641719) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID164641719
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CCOC)C2)C1
InChIInChI=1S/C19H30N4O2/c1-4-16-12-20-15(2)21-18(16)23-9-5-7-19(14-23)8-6-17(24)22(13-19)10-11-25-3/h12H,4-11,13-14H2,1-3H3/t19-/m0/s1
InChIKeyPNUNPUQZSKATLB-IBGZPJMESA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 164641719) is (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CCOC)C2)C1.
What is the InChIKey of (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PNUNPUQZSKATLB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-16-12-20-15(2)21-18(16)23-9-5-7-19(14-23)8-6-17(24)22(13-19)10-11-25-3/h12H,4-11,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 164641719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).