N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C11H13F3N6O — CID 106379048

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CNc2cc(C(F)(F)F)nc(NN)n2)oc1C
InChIInChI=1S/C11H13F3N6O/c1-5-6(2)21-9(17-5)4-16-8-3-7(11(12,13)14)18-10(19-8)20-15/h3H,4,15H2,1-2H3,(H2,16,18,19,20)
InChIKeyIBFXWBBPESRASG-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.00
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106379048) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106379048
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(CNc2cc(C(F)(F)F)nc(NN)n2)oc1C
InChIInChI=1S/C11H13F3N6O/c1-5-6(2)21-9(17-5)4-16-8-3-7(11(12,13)14)18-10(19-8)20-15/h3H,4,15H2,1-2H3,(H2,16,18,19,20)
InChIKeyIBFXWBBPESRASG-UHFFFAOYSA-N
XLogP2.00
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.00
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

2-[[4-[6-(Difluoromethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 136568898
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71888228
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375529
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375571
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106375614
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375639
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378482
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378540
2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378658
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378659

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 106379048) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(CNc2cc(C(F)(F)F)nc(NN)n2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IBFXWBBPESRASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-5-6(2)21-9(17-5)4-16-8-3-7(11(12,13)14)18-10(19-8)20-15/h3H,4,15H2,1-2H3,(H2,16,18,19,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106379048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).