2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid

C9H12N6O5 — CID 101117450

IUPAC2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid
SMILESCn1c(NCC(=O)NCC(=O)O)nc(N)c(N=O)c1=O
InChIInChI=1S/C9H12N6O5/c1-15-8(19)6(14-20)7(10)13-9(15)12-2-4(16)11-3-5(17)18/h2-3,10H2,1H3,(H,11,16)(H,12,13)(H,17,18)
InChIKeyMTVPHMWCSXRHQR-UHFFFAOYSA-N
MW284.23 g/mol
LogP-1.63
Rot. Bonds6

About 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid

2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid (PubChem CID 101117450) has the molecular formula C9H12N6O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid
PubChem CID101117450
Molecular FormulaC9H12N6O5
Molecular Weight284.23 g/mol
Exact Mass284.09
IUPAC Name2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid
SMILESCn1c(NCC(=O)NCC(=O)O)nc(N)c(N=O)c1=O
InChIInChI=1S/C9H12N6O5/c1-15-8(19)6(14-20)7(10)13-9(15)12-2-4(16)11-3-5(17)18/h2-3,10H2,1H3,(H,11,16)(H,12,13)(H,17,18)
InChIKeyMTVPHMWCSXRHQR-UHFFFAOYSA-N
XLogP-1.63
TPSA168.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid (CID 101117450) is 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid is Cn1c(NCC(=O)NCC(=O)O)nc(N)c(N=O)c1=O.
What is the InChIKey of 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The InChIKey is MTVPHMWCSXRHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O5/c1-15-8(19)6(14-20)7(10)13-9(15)12-2-4(16)11-3-5(17)18/h2-3,10H2,1H3,(H,11,16)(H,12,13)(H,17,18).
What are the key properties of 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid has a molecular weight of 284.23 g/mol, XLogP of -1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 101117450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).