2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

C18H25FN4O2 — CID 133137216

IUPAC2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)N(CC2CC2)CC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H25FN4O2/c1-25-11-15-16(24)23(10-13-2-3-13)12-18(15)4-6-22(7-5-18)17-20-8-14(19)9-21-17/h8-9,13,15H,2-7,10-12H2,1H3
InChIKeyMWJHQVCAICHCNT-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.72
Rot. Bonds5

About 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 133137216) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID133137216
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)N(CC2CC2)CC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H25FN4O2/c1-25-11-15-16(24)23(10-13-2-3-13)12-18(15)4-6-22(7-5-18)17-20-8-14(19)9-21-17/h8-9,13,15H,2-7,10-12H2,1H3
InChIKeyMWJHQVCAICHCNT-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aR,7R,7aR)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97364622
(3aR,7R,7aR)-N-cyclopropyl-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97950055
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
2,5-Dihydropyrrol-1-yl-[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 118742783
2-(Cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118744475
[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 155544111
[(1R,5S,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97514425
(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 134689425
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970791
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970989
(5R)-9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653299

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 133137216) is 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is COCC1C(=O)N(CC2CC2)CC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MWJHQVCAICHCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-25-11-15-16(24)23(10-13-2-3-13)12-18(15)4-6-22(7-5-18)17-20-8-14(19)9-21-17/h8-9,13,15H,2-7,10-12H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 348.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 133137216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).