[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

C15H19N5O2 — CID 110117140

IUPAC[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCN(C)Cc1ccnc(C2CCCN2C(=O)c2cnco2)n1
InChIInChI=1S/C15H19N5O2/c1-19(2)9-11-5-6-17-14(18-11)12-4-3-7-20(12)15(21)13-8-16-10-22-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyICILEJWGDWUZSP-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.50
Rot. Bonds4

About [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 110117140) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID110117140
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCN(C)Cc1ccnc(C2CCCN2C(=O)c2cnco2)n1
InChIInChI=1S/C15H19N5O2/c1-19(2)9-11-5-6-17-14(18-11)12-4-3-7-20(12)15(21)13-8-16-10-22-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyICILEJWGDWUZSP-UHFFFAOYSA-N
XLogP1.50
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 110117140) is [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is CN(C)Cc1ccnc(C2CCCN2C(=O)c2cnco2)n1.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is ICILEJWGDWUZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19(2)9-11-5-6-17-14(18-11)12-4-3-7-20(12)15(21)13-8-16-10-22-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110117140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).