(5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone

C15H22N4O2 — CID 131691570

IUPAC(5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCOc1cnc(C(=O)N2CC3(CCN(C(C)C)C3)C2)nc1
InChIInChI=1S/C15H22N4O2/c1-11(2)18-5-4-15(8-18)9-19(10-15)14(20)13-16-6-12(21-3)7-17-13/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyLETGVGWZIUYEDT-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.04
Rot. Bonds3

About (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone

(5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 131691570) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID131691570
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCOc1cnc(C(=O)N2CC3(CCN(C(C)C)C3)C2)nc1
InChIInChI=1S/C15H22N4O2/c1-11(2)18-5-4-15(8-18)9-19(10-15)14(20)13-16-6-12(21-3)7-17-13/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyLETGVGWZIUYEDT-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone (CID 131691570) is (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone is COc1cnc(C(=O)N2CC3(CCN(C(C)C)C3)C2)nc1.
What is the InChIKey of (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is LETGVGWZIUYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)18-5-4-15(8-18)9-19(10-15)14(20)13-16-6-12(21-3)7-17-13/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
(5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131691570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).