N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C11H14N4O3 — CID 81170956

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccon1
InChIInChI=1S/C11H14N4O3/c1-16-10-9(11(17-2)14-7-13-10)6-12-5-8-3-4-18-15-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyGYIRLUMSXPGMGE-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.77
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 81170956) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID81170956
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccon1
InChIInChI=1S/C11H14N4O3/c1-16-10-9(11(17-2)14-7-13-10)6-12-5-8-3-4-18-15-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyGYIRLUMSXPGMGE-UHFFFAOYSA-N
XLogP0.77
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 81170956) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is COc1ncnc(OC)c1CNCc1ccon1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is GYIRLUMSXPGMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-16-10-9(11(17-2)14-7-13-10)6-12-5-8-3-4-18-15-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 250.26 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 81170956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).