7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C17H25FN6O2 — CID 176502798

IUPAC7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESNc1nc(N2CCC3(CCN(CCN4CCOCC4)C3=O)C2)ncc1F
InChIInChI=1S/C17H25FN6O2/c18-13-11-20-16(21-14(13)19)24-4-2-17(12-24)1-3-23(15(17)25)6-5-22-7-9-26-10-8-22/h11H,1-10,12H2,(H2,19,20,21)
InChIKeyIZDCTPZNBHYYEP-UHFFFAOYSA-N
MW364.43 g/mol
LogP-0.04
Rot. Bonds4

About 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176502798) has the molecular formula C17H25FN6O2 and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176502798
Molecular FormulaC17H25FN6O2
Molecular Weight364.43 g/mol
Exact Mass364.20
IUPAC Name7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESNc1nc(N2CCC3(CCN(CCN4CCOCC4)C3=O)C2)ncc1F
InChIInChI=1S/C17H25FN6O2/c18-13-11-20-16(21-14(13)19)24-4-2-17(12-24)1-3-23(15(17)25)6-5-22-7-9-26-10-8-22/h11H,1-10,12H2,(H2,19,20,21)
InChIKeyIZDCTPZNBHYYEP-UHFFFAOYSA-N
XLogP-0.04
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645511
2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643087
7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644945
2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646163
7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642547
2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175644031
7-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895669
2-(2,5-dihydropyrrol-1-yl)-5-fluoropyrimidin-4-amine
CID 130693891
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382783
8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449706
2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 175642147

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176502798) is 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is Nc1nc(N2CCC3(CCN(CCN4CCOCC4)C3=O)C2)ncc1F.
What is the InChIKey of 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is IZDCTPZNBHYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O2/c18-13-11-20-16(21-14(13)19)24-4-2-17(12-24)1-3-23(15(17)25)6-5-22-7-9-26-10-8-22/h11H,1-10,12H2,(H2,19,20,21).
What are the key properties of 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 364.43 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176502798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).