(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H22N6O2 — CID 97488268

IUPAC(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOc1cc(N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-15-9-14(20-12-21-15)23-7-3-17(4-8-23)10-13(11-25-17)22-16-18-5-2-6-19-16/h2,5-6,9,12-13H,3-4,7-8,10-11H2,1H3,(H,18,19,22)/t13-/m1/s1
InChIKeyQSZYOQXNYFIIEN-CYBMUJFWSA-N
MW342.40 g/mol
LogP1.52
Rot. Bonds4

About (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97488268) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97488268
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOc1cc(N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-15-9-14(20-12-21-15)23-7-3-17(4-8-23)10-13(11-25-17)22-16-18-5-2-6-19-16/h2,5-6,9,12-13H,3-4,7-8,10-11H2,1H3,(H,18,19,22)/t13-/m1/s1
InChIKeyQSZYOQXNYFIIEN-CYBMUJFWSA-N
XLogP1.52
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
8-(6-Methoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745535
3-{[4-(4-Methoxypyrimidin-2-YL)piperazin-1-YL]methyl}piperidin-3-OL
CID 70748932
8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134071240
N-[[(1R,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 97459895
(5R)-7-(4-methoxypyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69493001
4-(4-Methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394863
4-(4-Propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394880
4-Methoxy-2-(piperidin-2-ylmethoxy)pyrimidine
CID 62349161
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]ethanamine
CID 62586354
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
N,N-dimethyl-4-(piperidin-2-ylmethoxy)pyrimidin-2-amine
CID 64829907

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97488268) is (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is COc1cc(N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)ncn1.
What is the InChIKey of (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QSZYOQXNYFIIEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-24-15-9-14(20-12-21-15)23-7-3-17(4-8-23)10-13(11-25-17)22-16-18-5-2-6-19-16/h2,5-6,9,12-13H,3-4,7-8,10-11H2,1H3,(H,18,19,22)/t13-/m1/s1.
What are the key properties of (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 342.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97488268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).