(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C18H23FN6O — CID 97475619

IUPAC(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1c1ncccn1
InChIInChI=1S/C18H23FN6O/c1-26-12-15-9-18(13-25(15)17-20-5-2-6-21-17)3-7-24(8-4-18)16-22-10-14(19)11-23-16/h2,5-6,10-11,15H,3-4,7-9,12-13H2,1H3/t15-/m1/s1
InChIKeyCPFXDBHVUNWMQK-OAHLLOKOSA-N
MW358.42 g/mol
LogP1.92
Rot. Bonds4

About (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97475619) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97475619
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1c1ncccn1
InChIInChI=1S/C18H23FN6O/c1-26-12-15-9-18(13-25(15)17-20-5-2-6-21-17)3-7-24(8-4-18)16-22-10-14(19)11-23-16/h2,5-6,10-11,15H,3-4,7-9,12-13H2,1H3/t15-/m1/s1
InChIKeyCPFXDBHVUNWMQK-OAHLLOKOSA-N
XLogP1.92
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
9-(5-Fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118739498
3-(Methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743452
8-Ethylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743454
2-Methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 118743459
9-(Oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
2-(2-Methoxyethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 118745406
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
3-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746399

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 97475619) is (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1c1ncccn1.
What is the InChIKey of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is CPFXDBHVUNWMQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-26-12-15-9-18(13-25(15)17-20-5-2-6-21-17)3-7-24(8-4-18)16-22-10-14(19)11-23-16/h2,5-6,10-11,15H,3-4,7-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 358.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).