8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C17H25ClN4O — CID 136558018

IUPAC8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3cc(C(C)(C)C)nc(Cl)n3)CC2)C1=O
InChIInChI=1S/C17H25ClN4O/c1-16(2,3)12-11-13(20-15(18)19-12)22-9-6-17(7-10-22)5-8-21(4)14(17)23/h11H,5-10H2,1-4H3
InChIKeyBYNNSIMZISQWDS-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.88
Rot. Bonds1

About 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 136558018) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID136558018
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3cc(C(C)(C)C)nc(Cl)n3)CC2)C1=O
InChIInChI=1S/C17H25ClN4O/c1-16(2,3)12-11-13(20-15(18)19-12)22-9-6-17(7-10-22)5-8-21(4)14(17)23/h11H,5-10H2,1-4H3
InChIKeyBYNNSIMZISQWDS-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 136558018) is 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(c3cc(C(C)(C)C)nc(Cl)n3)CC2)C1=O.
What is the InChIKey of 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BYNNSIMZISQWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-16(2,3)12-11-13(20-15(18)19-12)22-9-6-17(7-10-22)5-8-21(4)14(17)23/h11H,5-10H2,1-4H3.
What are the key properties of 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 336.87 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-tert-butyl-2-chloropyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 136558018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).