[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C18H22N4O3 — CID 53185818

IUPAC[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(Oc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C18H22N4O3/c1-21(2)16-10-17(20-12-19-16)25-13-8-9-22(11-13)18(23)14-6-4-5-7-15(14)24-3/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyDECPFERECXGWSD-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.84
Rot. Bonds5

About [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 53185818) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID53185818
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(Oc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C18H22N4O3/c1-21(2)16-10-17(20-12-19-16)25-13-8-9-22(11-13)18(23)14-6-4-5-7-15(14)24-3/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyDECPFERECXGWSD-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 53185818) is [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(Oc2cc(N(C)C)ncn2)C1.
What is the InChIKey of [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is DECPFERECXGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)16-10-17(20-12-19-16)25-13-8-9-22(11-13)18(23)14-6-4-5-7-15(14)24-3/h4-7,10,12-13H,8-9,11H2,1-3H3.
What are the key properties of [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 53185818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).