1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 137015812

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H18N4O3/c1-2-3-12(11(18)19)4-5-16(6-12)9-8(13)10(17)15-7-14-9/h7H,2-6,13H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyDZVCKVIQHYJVRO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.43
Rot. Bonds4

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 137015812) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID137015812
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H18N4O3/c1-2-3-12(11(18)19)4-5-16(6-12)9-8(13)10(17)15-7-14-9/h7H,2-6,13H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyDZVCKVIQHYJVRO-UHFFFAOYSA-N
XLogP0.43
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136958911
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672025
(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689836
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792244
2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858001
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 136958638
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-4-carboxylic acid
CID 136958845
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
CID 136958857
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
CID 136958861
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 136958873
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 136958877

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 137015812) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is DZVCKVIQHYJVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-3-12(11(18)19)4-5-16(6-12)9-8(13)10(17)15-7-14-9/h7H,2-6,13H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 137015812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).