3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid

C13H17N3O3 — CID 125162933

IUPAC3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Nc2cc([C@@H]3CCOC3)ncn2)C1
InChIInChI=1S/C13H17N3O3/c17-13(18)9-3-10(4-9)16-12-5-11(14-7-15-12)8-1-2-19-6-8/h5,7-10H,1-4,6H2,(H,17,18)(H,14,15,16)/t8-,9?,10?/m1/s1
InChIKeyPXCWHYIRDYEHIJ-XNWIYYODSA-N
MW263.30 g/mol
LogP1.26
Rot. Bonds4

About 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid

3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid (PubChem CID 125162933) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid
PubChem CID125162933
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Nc2cc([C@@H]3CCOC3)ncn2)C1
InChIInChI=1S/C13H17N3O3/c17-13(18)9-3-10(4-9)16-12-5-11(14-7-15-12)8-1-2-19-6-8/h5,7-10H,1-4,6H2,(H,17,18)(H,14,15,16)/t8-,9?,10?/m1/s1
InChIKeyPXCWHYIRDYEHIJ-XNWIYYODSA-N
XLogP1.26
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

3-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 125162932
3-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 118765525
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
3-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethoxy]benzoic acid
CID 125165387
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 125175212

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid (CID 125162933) is 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid is O=C(O)C1CC(Nc2cc([C@@H]3CCOC3)ncn2)C1.
What is the InChIKey of 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is PXCWHYIRDYEHIJ-XNWIYYODSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(18)9-3-10(4-9)16-12-5-11(14-7-15-12)8-1-2-19-6-8/h5,7-10H,1-4,6H2,(H,17,18)(H,14,15,16)/t8-,9?,10?/m1/s1.
What are the key properties of 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid?
3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125162933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).