1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone

C20H26N6O2 — CID 146114446

IUPAC1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
SMILESCN1CC(c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)Cc1cncc(O)c1)C2
InChIInChI=1S/C20H26N6O2/c1-24(2)19-22-5-4-17(23-19)16-10-25(3)11-20(16)12-26(13-20)18(28)7-14-6-15(27)9-21-8-14/h4-6,8-9,16,27H,7,10-13H2,1-3H3
InChIKeyBNIQTUVDGPTTMZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.74
Rot. Bonds4

About 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone

1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone (PubChem CID 146114446) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
PubChem CID146114446
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
SMILESCN1CC(c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)Cc1cncc(O)c1)C2
InChIInChI=1S/C20H26N6O2/c1-24(2)19-22-5-4-17(23-19)16-10-25(3)11-20(16)12-26(13-20)18(28)7-14-6-15(27)9-21-8-14/h4-6,8-9,16,27H,7,10-13H2,1-3H3
InChIKeyBNIQTUVDGPTTMZ-UHFFFAOYSA-N
XLogP0.74
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
The IUPAC name of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone (CID 146114446) is 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone is CN1CC(c2ccnc(N(C)C)n2)C2(C1)CN(C(=O)Cc1cncc(O)c1)C2.
What is the InChIKey of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
The InChIKey is BNIQTUVDGPTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24(2)19-22-5-4-17(23-19)16-10-25(3)11-20(16)12-26(13-20)18(28)7-14-6-15(27)9-21-8-14/h4-6,8-9,16,27H,7,10-13H2,1-3H3.
What are the key properties of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone has a molecular weight of 382.47 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(5-hydroxy-3-pyridinyl)ethanone is sourced from PubChem (CID 146114446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).