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

C20H34N6O — CID 72873996

IUPAC2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCCN1CC2(CCC1=O)CCN(c1nccc(N(C)C)n1)CC2
InChIInChI=1S/C20H34N6O/c1-23(2)12-5-13-26-16-20(8-6-18(26)27)9-14-25(15-10-20)19-21-11-7-17(22-19)24(3)4/h7,11H,5-6,8-10,12-16H2,1-4H3
InChIKeyVYZYLADFQLZAFE-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.70
Rot. Bonds6

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

2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72873996) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72873996
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCCN1CC2(CCC1=O)CCN(c1nccc(N(C)C)n1)CC2
InChIInChI=1S/C20H34N6O/c1-23(2)12-5-13-26-16-20(8-6-18(26)27)9-14-25(15-10-20)19-21-11-7-17(22-19)24(3)4/h7,11H,5-6,8-10,12-16H2,1-4H3
InChIKeyVYZYLADFQLZAFE-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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Related Compounds

2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861684
6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid
CID 72841401
2-[3-(dimethylamino)propyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751725
(6R)-4-[4-(dimethylamino)pyrimidin-2-yl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98840183
2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
CID 70736482
2-(3-hydroxypropyl)-9-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781998
2-[2-(dimethylamino)ethyl]-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70782576
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72860013
2-[2-(dimethylamino)ethyl]-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742722
9-[(4-acetyl-1-methylpyrrol-2-yl)methyl]-2-[3-(dimethylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850084
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72873996) is 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one is CN(C)CCCN1CC2(CCC1=O)CCN(c1nccc(N(C)C)n1)CC2.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VYZYLADFQLZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-23(2)12-5-13-26-16-20(8-6-18(26)27)9-14-25(15-10-20)19-21-11-7-17(22-19)24(3)4/h7,11H,5-6,8-10,12-16H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[3-(dimethylamino)propyl]-9-[4-(dimethylamino)pyrimidin-2-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-[4-(dimethylamino)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72873996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).