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

C17H24N6O2 — CID 97395886

IUPAC(3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOc1cc(N2CCC3(CC2)C[C@@H](Nc2cnn(C)c2)CO3)ncn1
InChIInChI=1S/C17H24N6O2/c1-22-10-14(9-20-22)21-13-8-17(25-11-13)3-5-23(6-4-17)15-7-16(24-2)19-12-18-15/h7,9-10,12-13,21H,3-6,8,11H2,1-2H3/t13-/m1/s1
InChIKeyZGBKTIFCJWFATC-CYBMUJFWSA-N
MW344.42 g/mol
LogP1.46
Rot. Bonds4

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

(3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97395886) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97395886
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOc1cc(N2CCC3(CC2)C[C@@H](Nc2cnn(C)c2)CO3)ncn1
InChIInChI=1S/C17H24N6O2/c1-22-10-14(9-20-22)21-13-8-17(25-11-13)3-5-23(6-4-17)15-7-16(24-2)19-12-18-15/h7,9-10,12-13,21H,3-6,8,11H2,1-2H3/t13-/m1/s1
InChIKeyZGBKTIFCJWFATC-CYBMUJFWSA-N
XLogP1.46
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97395886) is (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is COc1cc(N2CCC3(CC2)C[C@@H](Nc2cnn(C)c2)CO3)ncn1.
What is the InChIKey of (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ZGBKTIFCJWFATC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-22-10-14(9-20-22)21-13-8-17(25-11-13)3-5-23(6-4-17)15-7-16(24-2)19-12-18-15/h7,9-10,12-13,21H,3-6,8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3R)-8-(6-methoxypyrimidin-4-yl)-N-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 344.42 g/mol, XLogP of 1.46, 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-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97395886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).