(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C16H20N6O — CID 98778012

IUPAC(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1cnc(N2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-12-7-19-15(20-8-12)22-5-2-16(11-22)6-13(10-23-16)21-14-9-17-3-4-18-14/h3-4,7-9,13H,2,5-6,10-11H2,1H3,(H,18,21)/t13-,16+/m1/s1
InChIKeyFJIIOSWJYIBJNF-CJNGLKHVSA-N
MW312.38 g/mol
LogP1.42
Rot. Bonds3

About (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 98778012) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID98778012
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1cnc(N2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-12-7-19-15(20-8-12)22-5-2-16(11-22)6-13(10-23-16)21-14-9-17-3-4-18-14/h3-4,7-9,13H,2,5-6,10-11H2,1H3,(H,18,21)/t13-,16+/m1/s1
InChIKeyFJIIOSWJYIBJNF-CJNGLKHVSA-N
XLogP1.42
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
N-(3-fluoro-2-pyridinyl)-7-(5-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651435
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124521928
cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486398
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520594
6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
CID 134075017
(3R,5R)-N-(4-methoxyphenyl)-9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98778149
(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134071325
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124520719

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 98778012) is (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1cnc(N2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1.
What is the InChIKey of (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is FJIIOSWJYIBJNF-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-7-19-15(20-8-12)22-5-2-16(11-22)6-13(10-23-16)21-14-9-17-3-4-18-14/h3-4,7-9,13H,2,5-6,10-11H2,1H3,(H,18,21)/t13-,16+/m1/s1.
What are the key properties of (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 312.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 98778012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).