methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate

C10H15N3O3 — CID 10704393

IUPACmethyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate
SMILESCOCc1nc(N(C)C)ncc1C(=O)OC
InChIInChI=1S/C10H15N3O3/c1-13(2)10-11-5-7(9(14)16-4)8(12-10)6-15-3/h5H,6H2,1-4H3
InChIKeyOHBMNRRXWPKPED-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate

methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate (PubChem CID 10704393) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate
PubChem CID10704393
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate
SMILESCOCc1nc(N(C)C)ncc1C(=O)OC
InChIInChI=1S/C10H15N3O3/c1-13(2)10-11-5-7(9(14)16-4)8(12-10)6-15-3/h5H,6H2,1-4H3
InChIKeyOHBMNRRXWPKPED-UHFFFAOYSA-N
XLogP0.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate (CID 10704393) is methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate is COCc1nc(N(C)C)ncc1C(=O)OC.
What is the InChIKey of methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is OHBMNRRXWPKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13(2)10-11-5-7(9(14)16-4)8(12-10)6-15-3/h5H,6H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate?
methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 10704393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).