(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C19H24N4O3 — CID 124912988

IUPAC(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)nc1
InChIInChI=1S/C19H24N4O3/c1-13-9-21-18(22-10-13)20-6-3-15-5-8-26-19(15)11-23(12-19)17(24)16-14(2)4-7-25-16/h4,7,9-10,15H,3,5-6,8,11-12H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyVNDNPNBGBFXVIA-OAHLLOKOSA-N
MW356.43 g/mol
LogP2.42
Rot. Bonds5

About (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124912988) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124912988
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)nc1
InChIInChI=1S/C19H24N4O3/c1-13-9-21-18(22-10-13)20-6-3-15-5-8-26-19(15)11-23(12-19)17(24)16-14(2)4-7-25-16/h4,7,9-10,15H,3,5-6,8,11-12H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyVNDNPNBGBFXVIA-OAHLLOKOSA-N
XLogP2.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 124912988) is (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2occc2C)C3)nc1.
What is the InChIKey of (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is VNDNPNBGBFXVIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-9-21-18(22-10-13)20-6-3-15-5-8-26-19(15)11-23(12-19)17(24)16-14(2)4-7-25-16/h4,7,9-10,15H,3,5-6,8,11-12H2,1-2H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124912988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).