4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide

C12H21N7O2 — CID 83104525

IUPAC4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1cc(NN)nc(N)n1
InChIInChI=1S/C12H21N7O2/c1-2-3-15-11(20)8-7-21-5-4-19(8)10-6-9(18-14)16-12(13)17-10/h6,8H,2-5,7,14H2,1H3,(H,15,20)(H3,13,16,17,18)
InChIKeyMGUAGHSWZYZEHD-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.92
Rot. Bonds5

About 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide

4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide (PubChem CID 83104525) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
PubChem CID83104525
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1cc(NN)nc(N)n1
InChIInChI=1S/C12H21N7O2/c1-2-3-15-11(20)8-7-21-5-4-19(8)10-6-9(18-14)16-12(13)17-10/h6,8H,2-5,7,14H2,1H3,(H,15,20)(H3,13,16,17,18)
InChIKeyMGUAGHSWZYZEHD-UHFFFAOYSA-N
XLogP-0.92
TPSA131.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)morpholine-3-carboxamide
CID 83107029
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
CID 83097570
1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide (CID 83104525) is 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1cc(NN)nc(N)n1.
What is the InChIKey of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide?
The InChIKey is MGUAGHSWZYZEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-2-3-15-11(20)8-7-21-5-4-19(8)10-6-9(18-14)16-12(13)17-10/h6,8H,2-5,7,14H2,1H3,(H,15,20)(H3,13,16,17,18).
What are the key properties of 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide?
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of -0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83104525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).