1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one

C21H30N6O2 — CID 146114444

IUPAC1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one
SMILESCc1cnc(CCCC(=O)N2CC3(CN(C)CC3c3ccnc(N(C)C)n3)C2)o1
InChIInChI=1S/C21H30N6O2/c1-15-10-23-18(29-15)6-5-7-19(28)27-13-21(14-27)12-26(4)11-16(21)17-8-9-22-20(24-17)25(2)3/h8-10,16H,5-7,11-14H2,1-4H3
InChIKeyGHGXPIAOFCAMCQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.72
Rot. Bonds6

About 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one

1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one (PubChem CID 146114444) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one
PubChem CID146114444
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one
SMILESCc1cnc(CCCC(=O)N2CC3(CN(C)CC3c3ccnc(N(C)C)n3)C2)o1
InChIInChI=1S/C21H30N6O2/c1-15-10-23-18(29-15)6-5-7-19(28)27-13-21(14-27)12-26(4)11-16(21)17-8-9-22-20(24-17)25(2)3/h8-10,16H,5-7,11-14H2,1-4H3
InChIKeyGHGXPIAOFCAMCQ-UHFFFAOYSA-N
XLogP1.72
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one with MolForge

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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]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one (CID 146114444) is 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one is Cc1cnc(CCCC(=O)N2CC3(CN(C)CC3c3ccnc(N(C)C)n3)C2)o1.
What is the InChIKey of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
The InChIKey is GHGXPIAOFCAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-10-23-18(29-15)6-5-7-19(28)27-13-21(14-27)12-26(4)11-16(21)17-8-9-22-20(24-17)25(2)3/h8-10,16H,5-7,11-14H2,1-4H3.
What are the key properties of 1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
1-[5-[2-(dimethylamino)pyrimidin-4-yl]-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one has a molecular weight of 398.51 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 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]-4-(5-methyl-1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 146114444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).