[2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

C20H25N5O2 — CID 134177684

IUPAC[2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCc1ccc(CNc2ncc(C(=O)N3CCC4(CCOCC4)C3)cn2)cn1
InChIInChI=1S/C20H25N5O2/c1-15-2-3-16(10-21-15)11-22-19-23-12-17(13-24-19)18(26)25-7-4-20(14-25)5-8-27-9-6-20/h2-3,10,12-13H,4-9,11,14H2,1H3,(H,22,23,24)
InChIKeyVPTUWZIJMTZKDC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds4

About [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

[2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 134177684) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID134177684
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCc1ccc(CNc2ncc(C(=O)N3CCC4(CCOCC4)C3)cn2)cn1
InChIInChI=1S/C20H25N5O2/c1-15-2-3-16(10-21-15)11-22-19-23-12-17(13-24-19)18(26)25-7-4-20(14-25)5-8-27-9-6-20/h2-3,10,12-13H,4-9,11,14H2,1H3,(H,22,23,24)
InChIKeyVPTUWZIJMTZKDC-UHFFFAOYSA-N
XLogP2.43
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (CID 134177684) is [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is Cc1ccc(CNc2ncc(C(=O)N3CCC4(CCOCC4)C3)cn2)cn1.
What is the InChIKey of [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is VPTUWZIJMTZKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-2-3-16(10-21-15)11-22-19-23-12-17(13-24-19)18(26)25-7-4-20(14-25)5-8-27-9-6-20/h2-3,10,12-13H,4-9,11,14H2,1H3,(H,22,23,24).
What are the key properties of [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
[2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-3-pyridinyl)methylamino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 134177684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).