9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane

C16H23FN4O2 — CID 72892272

IUPAC9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCOC3)C2)nc1N1CCOCC1
InChIInChI=1S/C16H23FN4O2/c17-13-10-18-15(19-14(13)20-5-8-22-9-6-20)21-4-1-2-16(11-21)3-7-23-12-16/h10H,1-9,11-12H2
InChIKeyVVJXVKOWUOROQN-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.46
Rot. Bonds2

About 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane

9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane (PubChem CID 72892272) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane
PubChem CID72892272
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCOC3)C2)nc1N1CCOCC1
InChIInChI=1S/C16H23FN4O2/c17-13-10-18-15(19-14(13)20-5-8-22-9-6-20)21-4-1-2-16(11-21)3-7-23-12-16/h10H,1-9,11-12H2
InChIKeyVVJXVKOWUOROQN-UHFFFAOYSA-N
XLogP1.46
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-(6-Morpholin-4-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 155545438
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97209012
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 134080138
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
CID 171359687
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
4-(2-Chloro-5-fluoropyrimidin-4-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 172608427

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane (CID 72892272) is 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane is Fc1cnc(N2CCCC3(CCOC3)C2)nc1N1CCOCC1.
What is the InChIKey of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is VVJXVKOWUOROQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c17-13-10-18-15(19-14(13)20-5-8-22-9-6-20)21-4-1-2-16(11-21)3-7-23-12-16/h10H,1-9,11-12H2.
What are the key properties of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane?
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 322.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 72892272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).