6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid

C15H23N3O4 — CID 134408165

IUPAC6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid
SMILESCC[C@@H]1CCC[C@H](CNc2nc(OC)nc(C(=O)O)c2C)O1
InChIInChI=1S/C15H23N3O4/c1-4-10-6-5-7-11(22-10)8-16-13-9(2)12(14(19)20)17-15(18-13)21-3/h10-11H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)/t10-,11-/m1/s1
InChIKeyQSRULLNNDPGPFQ-GHMZBOCLSA-N
MW309.37 g/mol
LogP2.25
Rot. Bonds6

About 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid

6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid (PubChem CID 134408165) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid
PubChem CID134408165
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid
SMILESCC[C@@H]1CCC[C@H](CNc2nc(OC)nc(C(=O)O)c2C)O1
InChIInChI=1S/C15H23N3O4/c1-4-10-6-5-7-11(22-10)8-16-13-9(2)12(14(19)20)17-15(18-13)21-3/h10-11H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)/t10-,11-/m1/s1
InChIKeyQSRULLNNDPGPFQ-GHMZBOCLSA-N
XLogP2.25
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid (CID 134408165) is 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid is CC[C@@H]1CCC[C@H](CNc2nc(OC)nc(C(=O)O)c2C)O1.
What is the InChIKey of 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid?
The InChIKey is QSRULLNNDPGPFQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-10-6-5-7-11(22-10)8-16-13-9(2)12(14(19)20)17-15(18-13)21-3/h10-11H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)/t10-,11-/m1/s1.
What are the key properties of 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid?
6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 134408165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).