5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C14H20N4O2 — CID 136811541

IUPAC5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCc2nc(C)c(C)o2)c(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-7-10(4)20-12(17-7)6-15-8(2)13-9(3)16-11(5)18-14(13)19/h8,15H,6H2,1-5H3,(H,16,18,19)
InChIKeyROOZLZSGFFQFAK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.84
Rot. Bonds4

About 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136811541) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136811541
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCc2nc(C)c(C)o2)c(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-7-10(4)20-12(17-7)6-15-8(2)13-9(3)16-11(5)18-14(13)19/h8,15H,6H2,1-5H3,(H,16,18,19)
InChIKeyROOZLZSGFFQFAK-UHFFFAOYSA-N
XLogP1.84
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136811541) is 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCc2nc(C)c(C)o2)c(=O)[nH]1.
What is the InChIKey of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ROOZLZSGFFQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-7-10(4)20-12(17-7)6-15-8(2)13-9(3)16-11(5)18-14(13)19/h8,15H,6H2,1-5H3,(H,16,18,19).
What are the key properties of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136811541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).