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

C20H34N6O — CID 72861684

IUPAC2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCCN1CC2(CCC1=O)CCN(c1cc(N(C)C)ncn1)CC2
InChIInChI=1S/C20H34N6O/c1-23(2)10-5-11-26-15-20(7-6-19(26)27)8-12-25(13-9-20)18-14-17(24(3)4)21-16-22-18/h14,16H,5-13,15H2,1-4H3
InChIKeySNMBTKNHCAWDEN-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.70
Rot. Bonds6

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

2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72861684) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72861684
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCCN1CC2(CCC1=O)CCN(c1cc(N(C)C)ncn1)CC2
InChIInChI=1S/C20H34N6O/c1-23(2)10-5-11-26-15-20(7-6-19(26)27)8-12-25(13-9-20)18-14-17(24(3)4)21-16-22-18/h14,16H,5-13,15H2,1-4H3
InChIKeySNMBTKNHCAWDEN-UHFFFAOYSA-N
XLogP1.70
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72861684) is 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one is CN(C)CCCN1CC2(CCC1=O)CCN(c1cc(N(C)C)ncn1)CC2.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SNMBTKNHCAWDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-23(2)10-5-11-26-15-20(7-6-19(26)27)8-12-25(13-9-20)18-14-17(24(3)4)21-16-22-18/h14,16H,5-13,15H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.53 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72861684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).