(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine

C14H17N5O — CID 163686867

IUPAC(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
SMILESCc1cc(NC2=NC[C@@]3(CN4CCC45CC53)O2)ncn1
InChIInChI=1S/C14H17N5O/c1-9-4-11(17-8-16-9)18-12-15-6-14(20-12)7-19-3-2-13(19)5-10(13)14/h4,8,10H,2-3,5-7H2,1H3,(H,15,16,17,18)/t10?,13?,14-/m0/s1
InChIKeyWNFCAZUNMPUUSK-DBRPNBKGSA-N
MW271.32 g/mol
LogP0.80
Rot. Bonds1

About (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine

(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine (PubChem CID 163686867) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine.

Molecular Properties

Compound Name(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
PubChem CID163686867
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
SMILESCc1cc(NC2=NC[C@@]3(CN4CCC45CC53)O2)ncn1
InChIInChI=1S/C14H17N5O/c1-9-4-11(17-8-16-9)18-12-15-6-14(20-12)7-19-3-2-13(19)5-10(13)14/h4,8,10H,2-3,5-7H2,1H3,(H,15,16,17,18)/t10?,13?,14-/m0/s1
InChIKeyWNFCAZUNMPUUSK-DBRPNBKGSA-N
XLogP0.80
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine with MolForge

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Related Compounds

(3R)-N-(6-methylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088264
6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
CID 90249167
(3S)-N-(6-methoxypyrimidin-4-yl)-1-oxidospiro[1-azoniabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 54588558
6-methyl-N-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 134160674
(5R,6R)-N-isoquinolin-3-ylspiro[1-azabicyclo[3.2.1]octane-6,5'-4H-1,3-oxazole]-2'-amine
CID 58497605
6-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63830485
1-N-(6-methylpyrimidin-4-yl)cyclopropane-1,2-diamine
CID 61226903
(3S)-N-(6-chloro-5-methylpyrazin-2-yl)-1-hydroxyspiro[1-azoniabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 158432192
(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286675
6-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 16876383
6-methyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82728623
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The IUPAC name of (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine (CID 163686867) is (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine.
What is the SMILES notation for (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The canonical SMILES for (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine is Cc1cc(NC2=NC[C@@]3(CN4CCC45CC53)O2)ncn1.
What is the InChIKey of (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The InChIKey is WNFCAZUNMPUUSK-DBRPNBKGSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-4-11(17-8-16-9)18-12-15-6-14(20-12)7-19-3-2-13(19)5-10(13)14/h4,8,10H,2-3,5-7H2,1H3,(H,15,16,17,18)/t10?,13?,14-/m0/s1.
What are the key properties of (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine has a molecular weight of 271.32 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine is sourced from PubChem (CID 163686867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).