2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid

C10H16N4O3 — CID 135427843

IUPAC2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(=O)[nH]c(NCCCC(N)C(=O)O)n1
InChIInChI=1S/C10H16N4O3/c1-6-5-8(15)14-10(13-6)12-4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyRQWQNTQQCCFQOI-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.32
Rot. Bonds6

About 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid

2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 135427843) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
PubChem CID135427843
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(=O)[nH]c(NCCCC(N)C(=O)O)n1
InChIInChI=1S/C10H16N4O3/c1-6-5-8(15)14-10(13-6)12-4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyRQWQNTQQCCFQOI-UHFFFAOYSA-N
XLogP-0.32
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
CID 135468166
2-Amino-6-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-ylamino)hexanoic acid
CID 135468167
2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
CID 280770
2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
CID 135441529
(2S)-2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 136443905
(2R)-5-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 136443942
(2S)-6-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 136443947
6-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137091802
6-(methylamino)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137147047
2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137159550
(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid
CID 138741417
6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 138741426

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (CID 135427843) is 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is Cc1cc(=O)[nH]c(NCCCC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is RQWQNTQQCCFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-5-8(15)14-10(13-6)12-4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 135427843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).