(2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone

C18H27N3O2 — CID 134160637

IUPAC(2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1ncnc(OCC2CCN(C(=O)C3CC3(C)C)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-12-13(2)19-11-20-16(12)23-10-14-5-7-21(8-6-14)17(22)15-9-18(15,3)4/h11,14-15H,5-10H2,1-4H3
InChIKeyPUWDWBRMVIZRSG-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.76
Rot. Bonds4

About (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone

(2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone (PubChem CID 134160637) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone
PubChem CID134160637
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1ncnc(OCC2CCN(C(=O)C3CC3(C)C)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-12-13(2)19-11-20-16(12)23-10-14-5-7-21(8-6-14)17(22)15-9-18(15,3)4/h11,14-15H,5-10H2,1-4H3
InChIKeyPUWDWBRMVIZRSG-UHFFFAOYSA-N
XLogP2.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone (CID 134160637) is (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone is Cc1ncnc(OCC2CCN(C(=O)C3CC3(C)C)CC2)c1C.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone?
The InChIKey is PUWDWBRMVIZRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-13(2)19-11-20-16(12)23-10-14-5-7-21(8-6-14)17(22)15-9-18(15,3)4/h11,14-15H,5-10H2,1-4H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone?
(2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 134160637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).