2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid

C10H12N2O4 — CID 65351840

IUPAC2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(C2COCCO2)n1
InChIInChI=1S/C10H12N2O4/c1-6-4-7(10(13)14)12-9(11-6)8-5-15-2-3-16-8/h4,8H,2-3,5H2,1H3,(H,13,14)
InChIKeyOUDQAPOXMQQDKB-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.57
Rot. Bonds2

About 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid

2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 65351840) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID65351840
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(C2COCCO2)n1
InChIInChI=1S/C10H12N2O4/c1-6-4-7(10(13)14)12-9(11-6)8-5-15-2-3-16-8/h4,8H,2-3,5H2,1H3,(H,13,14)
InChIKeyOUDQAPOXMQQDKB-UHFFFAOYSA-N
XLogP0.57
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 65353789
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 65351630
2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxylic acid
CID 115337398
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
3-(1,4-dioxan-2-yl)-2,5-dimethylpyrazine
CID 156770959
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110115566
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 129072246
2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
CID 65352118
4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
CID 65350726
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid (CID 65351840) is 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(C2COCCO2)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is OUDQAPOXMQQDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-4-7(10(13)14)12-9(11-6)8-5-15-2-3-16-8/h4,8H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid?
2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 65351840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).