2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

C11H15N7O — CID 80963831

IUPAC2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(CNc2cc(NN)nc(C3CC3)n2)n1
InChIInChI=1S/C11H15N7O/c1-6-14-10(19-18-6)5-13-8-4-9(17-12)16-11(15-8)7-2-3-7/h4,7H,2-3,5,12H2,1H3,(H2,13,15,16,17)
InChIKeyBUAZFESNEPWHPU-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.94
Rot. Bonds5

About 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 80963831) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID80963831
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(CNc2cc(NN)nc(C3CC3)n2)n1
InChIInChI=1S/C11H15N7O/c1-6-14-10(19-18-6)5-13-8-4-9(17-12)16-11(15-8)7-2-3-7/h4,7H,2-3,5,12H2,1H3,(H2,13,15,16,17)
InChIKeyBUAZFESNEPWHPU-UHFFFAOYSA-N
XLogP0.94
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.94
H-Bond Donors ≤ 53
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

6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984101
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097
2-cyclopropyl-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 80964280
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80969118
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 80963831) is 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1noc(CNc2cc(NN)nc(C3CC3)n2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is BUAZFESNEPWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-6-14-10(19-18-6)5-13-8-4-9(17-12)16-11(15-8)7-2-3-7/h4,7H,2-3,5,12H2,1H3,(H2,13,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80963831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).