4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid

C12H18N4O4 — CID 136959180

IUPAC4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-2-3-16(8-5-20-4-7(8)12(18)19)10-9(13)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyGUGWOJCVROBWIB-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.33
Rot. Bonds5

About 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 136959180) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
PubChem CID136959180
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-2-3-16(8-5-20-4-7(8)12(18)19)10-9(13)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyGUGWOJCVROBWIB-UHFFFAOYSA-N
XLogP-0.33
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959067
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959165
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959166
4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959170
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid
CID 136959174
4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959175
4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959178
4-[(6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959181
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959183
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 136959185
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
CID 136959326
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015862

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid (CID 136959180) is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid is CCCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is GUGWOJCVROBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-3-16(8-5-20-4-7(8)12(18)19)10-9(13)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).