4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid

C11H15N3O3 — CID 46397636

IUPAC4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CCCO2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-9(10(15)16)6-13-11(14-7)12-5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyDSQDDLURSHNMDB-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.07
Rot. Bonds4

About 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid (PubChem CID 46397636) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid
PubChem CID46397636
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CCCO2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-9(10(15)16)6-13-11(14-7)12-5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyDSQDDLURSHNMDB-UHFFFAOYSA-N
XLogP1.07
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid (CID 46397636) is 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid is Cc1nc(NCC2CCCO2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is DSQDDLURSHNMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-9(10(15)16)6-13-11(14-7)12-5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 46397636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).