6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine

C11H16N6O — CID 81174099

IUPAC6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NCc2ccon2)n1
InChIInChI=1S/C11H16N6O/c1-7(2)11-14-9(5-10(15-11)16-12)13-6-8-3-4-18-17-8/h3-5,7H,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyRJTMDZSAMMLQOG-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.49
Rot. Bonds5

About 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81174099) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID81174099
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NCc2ccon2)n1
InChIInChI=1S/C11H16N6O/c1-7(2)11-14-9(5-10(15-11)16-12)13-6-8-3-4-18-17-8/h3-5,7H,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyRJTMDZSAMMLQOG-UHFFFAOYSA-N
XLogP1.49
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.49
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

N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969584
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173601
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81174173
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604
4-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 80702925
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 106304598
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine (CID 81174099) is 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(NCc2ccon2)n1.
What is the InChIKey of 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RJTMDZSAMMLQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7(2)11-14-9(5-10(15-11)16-12)13-6-8-3-4-18-17-8/h3-5,7H,6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81174099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).