(5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane

C17H25FN4O — CID 124809339

IUPAC(5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCC2CC2)[C@@]2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H25FN4O/c1-21-8-14(10-23-9-13-2-3-13)17(11-21)4-5-22(12-17)16-19-6-15(18)7-20-16/h6-7,13-14H,2-5,8-12H2,1H3/t14-,17+/m1/s1
InChIKeyNDQUYKMDKHEQMH-PBHICJAKSA-N
MW320.41 g/mol
LogP1.80
Rot. Bonds5

About (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane

(5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 124809339) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID124809339
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name(5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCC2CC2)[C@@]2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H25FN4O/c1-21-8-14(10-23-9-13-2-3-13)17(11-21)4-5-22(12-17)16-19-6-15(18)7-20-16/h6-7,13-14H,2-5,8-12H2,1H3/t14-,17+/m1/s1
InChIKeyNDQUYKMDKHEQMH-PBHICJAKSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane with MolForge

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Related Compounds

(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
CID 172744912
7-(5-Fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 77661371
(3R,5S)-3-(cyclopropylmethoxy)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 97419933
1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
CID 97420473
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97423201
(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 97450296
(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 97483213
(3S)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 97483214
(5R,9S)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane
CID 97483315
(4R,5R)-2-(cyclopropylmethyl)-7-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97483586
(4S,5R)-2-(cyclopropylmethyl)-7-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487090

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane (CID 124809339) is (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane is CN1C[C@H](COCC2CC2)[C@@]2(CCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is NDQUYKMDKHEQMH-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-21-8-14(10-23-9-13-2-3-13)17(11-21)4-5-22(12-17)16-19-6-15(18)7-20-16/h6-7,13-14H,2-5,8-12H2,1H3/t14-,17+/m1/s1.
What are the key properties of (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane?
(5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 320.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-(cyclopropylmethoxymethyl)-2-(5-fluoropyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124809339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).