(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid

C10H15N5O4 — CID 54155957

IUPAC(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O
InChIInChI=1S/C10H15N5O4/c1-4(2)5(9(17)18)12-10-13-7(11)6(14-19)8(16)15(10)3/h4-5H,11H2,1-3H3,(H,12,13)(H,17,18)
InChIKeyOLBGPGOUDPZBLM-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.28
Rot. Bonds5

About (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid

(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid (PubChem CID 54155957) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid
PubChem CID54155957
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O
InChIInChI=1S/C10H15N5O4/c1-4(2)5(9(17)18)12-10-13-7(11)6(14-19)8(16)15(10)3/h4-5H,11H2,1-3H3,(H,12,13)(H,17,18)
InChIKeyOLBGPGOUDPZBLM-UHFFFAOYSA-N
XLogP0.28
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
CID 82539337
(2S)-2-[(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 122049696
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 121204763
(2S)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 7456431
(2S)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 114251131
(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 119360480
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
(2S)-2-[[2-[(1S)-1-amino-2-methylpropyl]-5-methyl-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 25209011
(2S)-3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 122049683

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid (CID 54155957) is (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid is CC(C)C(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is OLBGPGOUDPZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-4(2)5(9(17)18)12-10-13-7(11)6(14-19)8(16)15(10)3/h4-5H,11H2,1-3H3,(H,12,13)(H,17,18).
What are the key properties of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid?
(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 269.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 54155957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).