5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid

C10H16N4O3 — CID 19710917

IUPAC5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid
SMILESNc1ccn(CC(N)CCCC(=O)O)c(=O)n1
InChIInChI=1S/C10H16N4O3/c11-7(2-1-3-9(15)16)6-14-5-4-8(12)13-10(14)17/h4-5,7H,1-3,6,11H2,(H,15,16)(H2,12,13,17)
InChIKeyVZOCGOZCMMZIFT-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.59
Rot. Bonds6

About 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid

5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid (PubChem CID 19710917) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid
PubChem CID19710917
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid
SMILESNc1ccn(CC(N)CCCC(=O)O)c(=O)n1
InChIInChI=1S/C10H16N4O3/c11-7(2-1-3-9(15)16)6-14-5-4-8(12)13-10(14)17/h4-5,7H,1-3,6,11H2,(H,15,16)(H2,12,13,17)
InChIKeyVZOCGOZCMMZIFT-UHFFFAOYSA-N
XLogP-0.59
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Aminoethyllysine-carbonylmethylene-cytosine
CID 5287874
(2S)-6-amino-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 91610677
4-Amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 19710923
2-[3-Amino-4-(4-amino-2-oxopyrimidin-1-yl)cyclohexyl]acetic acid
CID 23439287
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102214320
(2S)-2-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 171043900
5-Amino-4-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 101613981
(4S)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
CID 101613983
(5S)-5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid
CID 101613984
(2S)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102152021

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid (CID 19710917) is 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid is Nc1ccn(CC(N)CCCC(=O)O)c(=O)n1.
What is the InChIKey of 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid?
The InChIKey is VZOCGOZCMMZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-7(2-1-3-9(15)16)6-14-5-4-8(12)13-10(14)17/h4-5,7H,1-3,6,11H2,(H,15,16)(H2,12,13,17).
What are the key properties of 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid?
5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-amino-2-oxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 19710917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).