methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate

C11H19N5O2 — CID 80904150

IUPACmethyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ccnc(NN)n1
InChIInChI=1S/C11H19N5O2/c1-7(2)6-8(10(17)18-3)14-9-4-5-13-11(15-9)16-12/h4-5,7-8H,6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyIWGCDZDJDYOXPK-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.76
Rot. Bonds6

About methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate

methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate (PubChem CID 80904150) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
PubChem CID80904150
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Namemethyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ccnc(NN)n1
InChIInChI=1S/C11H19N5O2/c1-7(2)6-8(10(17)18-3)14-9-4-5-13-11(15-9)16-12/h4-5,7-8H,6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyIWGCDZDJDYOXPK-UHFFFAOYSA-N
XLogP0.76
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
CID 80812300
methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
CID 80812205
2-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897391
methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
methyl 2-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoate
CID 106536076
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
(2S)-4-methyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]pentanamide
CID 72846141
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
(2S)-2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050186
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate (CID 80904150) is methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)Nc1ccnc(NN)n1.
What is the InChIKey of methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate?
The InChIKey is IWGCDZDJDYOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7(2)6-8(10(17)18-3)14-9-4-5-13-11(15-9)16-12/h4-5,7-8H,6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate?
methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate has a molecular weight of 253.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 80904150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).