(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

C19H24N4O2 — CID 97474544

IUPAC(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cccc(CO[C@H]2COC3(CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-15-4-2-5-16(22-15)13-24-17-12-19(25-14-17)6-10-23(11-7-19)18-20-8-3-9-21-18/h2-5,8-9,17H,6-7,10-14H2,1H3/t17-/m1/s1
InChIKeyQSQIAIPMFLZQOW-QGZVFWFLSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds4

About (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97474544) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97474544
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cccc(CO[C@H]2COC3(CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-15-4-2-5-16(22-15)13-24-17-12-19(25-14-17)6-10-23(11-7-19)18-20-8-3-9-21-18/h2-5,8-9,17H,6-7,10-14H2,1H3/t17-/m1/s1
InChIKeyQSQIAIPMFLZQOW-QGZVFWFLSA-N
XLogP2.52
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420018
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97476702
2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 125223389
(3R)-8-methyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419146
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333
3-[(6-methyl-2-pyridinyl)methoxy]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171688593
(8S)-2-methyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124794911
(1-methylpyrazol-4-yl)-[(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155846599
(3S,5S)-7-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155852730
(3S,5S)-7-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 171696569

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 97474544) is (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane is Cc1cccc(CO[C@H]2COC3(CCN(c4ncccn4)CC3)C2)n1.
What is the InChIKey of (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QSQIAIPMFLZQOW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-4-2-5-16(22-15)13-24-17-12-19(25-14-17)6-10-23(11-7-19)18-20-8-3-9-21-18/h2-5,8-9,17H,6-7,10-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 340.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97474544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).