methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate

C12H17N3O3 — CID 116647653

IUPACmethyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(CC2CCOC2)nc1N
InChIInChI=1S/C12H17N3O3/c1-7-10(12(16)17-2)11(13)15-9(14-7)5-8-3-4-18-6-8/h8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyVELJSVAXGIJNNQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.73
Rot. Bonds3

About methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate

methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate (PubChem CID 116647653) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
PubChem CID116647653
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(CC2CCOC2)nc1N
InChIInChI=1S/C12H17N3O3/c1-7-10(12(16)17-2)11(13)15-9(14-7)5-8-3-4-18-6-8/h8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyVELJSVAXGIJNNQ-UHFFFAOYSA-N
XLogP0.73
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
CID 116647476
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 103987858
5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
CID 105465745
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
CID 116647634
[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987906
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987764

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate (CID 116647653) is methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(CC2CCOC2)nc1N.
What is the InChIKey of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
The InChIKey is VELJSVAXGIJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(12(16)17-2)11(13)15-9(14-7)5-8-3-4-18-6-8/h8H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).