2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate

C10H16N6O2 — CID 83215227

IUPAC2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
SMILESNNc1cc(NCCOC(N)=O)nc(C2CC2)n1
InChIInChI=1S/C10H16N6O2/c11-10(17)18-4-3-13-7-5-8(16-12)15-9(14-7)6-1-2-6/h5-6H,1-4,12H2,(H2,11,17)(H2,13,14,15,16)
InChIKeyBBIAODQPWRMEKG-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.15
Rot. Bonds6

About 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate

2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate (PubChem CID 83215227) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
PubChem CID83215227
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
SMILESNNc1cc(NCCOC(N)=O)nc(C2CC2)n1
InChIInChI=1S/C10H16N6O2/c11-10(17)18-4-3-13-7-5-8(16-12)15-9(14-7)6-1-2-6/h5-6H,1-4,12H2,(H2,11,17)(H2,13,14,15,16)
InChIKeyBBIAODQPWRMEKG-UHFFFAOYSA-N
XLogP0.15
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate (CID 83215227) is 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate is NNc1cc(NCCOC(N)=O)nc(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate?
The InChIKey is BBIAODQPWRMEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-10(17)18-4-3-13-7-5-8(16-12)15-9(14-7)6-1-2-6/h5-6H,1-4,12H2,(H2,11,17)(H2,13,14,15,16).
What are the key properties of 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate?
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate has a molecular weight of 252.28 g/mol, XLogP of 0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83215227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).