7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

C12H16N4O2 — CID 140585780

IUPAC7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ccnc(N2CCC3(CCNC3=O)C2)n1
InChIInChI=1S/C12H16N4O2/c1-18-9-2-5-14-11(15-9)16-7-4-12(8-16)3-6-13-10(12)17/h2,5H,3-4,6-8H2,1H3,(H,13,17)
InChIKeyLVQRVNWTUZGMOK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.20
Rot. Bonds2

About 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 140585780) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID140585780
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ccnc(N2CCC3(CCNC3=O)C2)n1
InChIInChI=1S/C12H16N4O2/c1-18-9-2-5-14-11(15-9)16-7-4-12(8-16)3-6-13-10(12)17/h2,5H,3-4,6-8H2,1H3,(H,13,17)
InChIKeyLVQRVNWTUZGMOK-UHFFFAOYSA-N
XLogP0.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
CID 82994740
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339
2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 153109635
5-(4-methoxypyrimidin-2-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146078034
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 67979915
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154882570
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 140585780) is 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is COc1ccnc(N2CCC3(CCNC3=O)C2)n1.
What is the InChIKey of 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is LVQRVNWTUZGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-9-2-5-14-11(15-9)16-7-4-12(8-16)3-6-13-10(12)17/h2,5H,3-4,6-8H2,1H3,(H,13,17).
What are the key properties of 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 248.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 140585780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).