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

C18H29N5O2 — CID 70784594

IUPAC9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H29N5O2/c1-14-12-15(20-17(19-14)21(2)3)22-8-6-18(7-9-22)5-4-16(25)23(13-18)10-11-24/h12,24H,4-11,13H2,1-3H3
InChIKeyXYGYZPYTNKOQKG-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.05
Rot. Bonds4

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

9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70784594) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70784594
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H29N5O2/c1-14-12-15(20-17(19-14)21(2)3)22-8-6-18(7-9-22)5-4-16(25)23(13-18)10-11-24/h12,24H,4-11,13H2,1-3H3
InChIKeyXYGYZPYTNKOQKG-UHFFFAOYSA-N
XLogP1.05
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56710094
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
2-(Cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70710773
2-(2-Hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70732116
2-(3-Hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70733151
9-(2-Amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756233
2-(Cyclopropylmethyl)-9-(6-isopropyl-2-methylpyrimidin-4-YL)-2,9-diazaspiro[5.5]undecan-3-one
CID 70757697
4-{2-Methyl-6-[1-(2-methylpentanoyl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 70758953
2-(2-Methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70763270
2-Cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771390
9-[2-(Dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773058
2-(Cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775298

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70784594) is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)nc(N(C)C)n1.
What is the InChIKey of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XYGYZPYTNKOQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-12-15(20-17(19-14)21(2)3)22-8-6-18(7-9-22)5-4-16(25)23(13-18)10-11-24/h12,24H,4-11,13H2,1-3H3.
What are the key properties of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 347.46 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70784594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).