N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide

C12H20N6O2 — CID 62241398

IUPACN-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C12H20N6O2/c1-4-14-9(19)6-16-12(20)10-8(18-13)5-15-11(17-10)7(2)3/h5,7,18H,4,6,13H2,1-3H3,(H,14,19)(H,16,20)
InChIKeyXXHAXYQESABLJZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.25
Rot. Bonds6

About N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62241398) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62241398
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C12H20N6O2/c1-4-14-9(19)6-16-12(20)10-8(18-13)5-15-11(17-10)7(2)3/h5,7,18H,4,6,13H2,1-3H3,(H,14,19)(H,16,20)
InChIKeyXXHAXYQESABLJZ-UHFFFAOYSA-N
XLogP-0.25
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62241398) is N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide is CCNC(=O)CNC(=O)c1nc(C(C)C)ncc1NN.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is XXHAXYQESABLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-4-14-9(19)6-16-12(20)10-8(18-13)5-15-11(17-10)7(2)3/h5,7,18H,4,6,13H2,1-3H3,(H,14,19)(H,16,20).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62241398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).