6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione

C18H27N5O4 — CID 95862654

IUPAC6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)CCN1C[C@]2(CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H27N5O4/c1-21(2)8-9-22-11-18(6-4-15(22)25)5-3-7-23(12-18)16(26)13-10-14(24)20-17(27)19-13/h10H,3-9,11-12H2,1-2H3,(H2,19,20,24,27)/t18-/m0/s1
InChIKeyUEXWIPOGBVFGNJ-SFHVURJKSA-N
MW377.45 g/mol
LogP-0.53
Rot. Bonds4

About 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione

6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 95862654) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID95862654
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)CCN1C[C@]2(CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H27N5O4/c1-21(2)8-9-22-11-18(6-4-15(22)25)5-3-7-23(12-18)16(26)13-10-14(24)20-17(27)19-13/h10H,3-9,11-12H2,1-2H3,(H2,19,20,24,27)/t18-/m0/s1
InChIKeyUEXWIPOGBVFGNJ-SFHVURJKSA-N
XLogP-0.53
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione (CID 95862654) is 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione is CN(C)CCN1C[C@]2(CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UEXWIPOGBVFGNJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-21(2)8-9-22-11-18(6-4-15(22)25)5-3-7-23(12-18)16(26)13-10-14(24)20-17(27)19-13/h10H,3-9,11-12H2,1-2H3,(H2,19,20,24,27)/t18-/m0/s1.
What are the key properties of 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 377.45 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95862654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).